Enalapril Maleate Form 2 Frequency Input CRYSTAL 0 0 0 19 33.72019432 11.14379836 6.55968421 67 6 -2.887017258391E-01 -3.348204456554E-01 -4.317127276191E-02 6 -3.003998652455E-01 -2.116319129050E-01 4.052243119020E-02 7 -2.832532320762E-01 -2.112557864273E-01 2.477573032597E-01 6 -2.555973356431E-01 -3.113037483692E-01 2.793052388908E-01 6 -2.493814343610E-01 -3.621728159208E-01 6.374333577618E-02 6 -2.165176186939E-01 -2.731447190550E-01 3.766856691090E-01 8 -1.972216469532E-01 -1.856453785921E-01 3.209593917033E-01 8 -2.056082108554E-01 -3.519489651331E-01 -4.823712152912E-01 6 -2.938539919923E-01 -1.423825516602E-01 4.074981385046E-01 8 -2.788035339038E-01 -1.535699446955E-01 -4.203102864825E-01 6 -3.243881091571E-01 -4.346189170909E-02 3.683256372076E-01 6 -3.042782674954E-01 6.592639837830E-02 2.761354006186E-01 7 -3.429032983358E-01 -1.451308769591E-02 -4.280119111244E-01 6 -3.722668387721E-01 8.657446588064E-02 -4.322816724476E-01 6 -3.854755912095E-01 1.113352352357E-01 -2.143791366354E-01 8 -3.808029966957E-01 4.358078649546E-02 -7.076131888350E-02 8 -4.043259717456E-01 2.175283752179E-01 -2.106809612131E-01 6 -4.240409362444E-01 2.529905811940E-01 -2.086978097287E-02 6 -4.645615319272E-01 1.957599004402E-01 -5.781663415034E-03 6 -4.081141173156E-01 6.223069405192E-02 4.299049283097E-01 6 -4.362015811513E-01 -3.807649663245E-02 -4.985826165834E-01 6 -4.673472916722E-01 -6.233966559352E-02 3.417797812508E-01 6 4.952751496683E-01 -7.683908666624E-03 3.510576939858E-01 6 4.673566404874E-01 -2.528355596194E-02 1.964808815802E-01 6 4.764112069611E-01 -9.879878328555E-02 3.021571610439E-02 6 -4.863442928197E-01 -1.538465184960E-01 1.946371484473E-02 6 -4.584621409305E-01 -1.356687924876E-01 1.737606950033E-01 1 -1.800272582167E-01 -3.317562872734E-01 -4.055841237652E-01 1 -2.246609904077E-01 -3.152119632021E-01 -1.111809933007E-02 1 -2.426302061827E-01 -4.583663117146E-01 6.925074695959E-02 1 -2.856326758232E-01 -3.319123127121E-01 -2.093268403837E-01 1 -3.109735658970E-01 -4.022869598118E-01 -1.278570358326E-03 1 -2.696400048420E-01 -3.781443345543E-01 3.796030252064E-01 1 -3.326488659670E-01 -1.991255088625E-01 4.446743265448E-02 1 -2.872721474546E-01 -1.394899061747E-01 -5.189308069664E-02 1 -3.482274724528E-01 -7.695414764944E-02 2.701039484062E-01 1 -2.870964563830E-01 4.007529516875E-02 1.415512373255E-01 1 -2.836284468289E-01 1.062814095785E-01 3.860625447186E-01 1 -3.258862622874E-01 1.332997448992E-01 2.277786089124E-01 1 -3.202660854263E-01 9.126313898585E-03 -3.289745189571E-01 1 -3.558677551585E-01 -9.414639429334E-02 -3.669376697202E-01 1 -3.567541080992E-01 1.664438581920E-01 -4.898031081730E-01 1 -3.977440325850E-01 4.403752301078E-02 2.740121914569E-01 1 -4.246254438518E-01 1.471950096615E-01 4.219279307271E-01 1 -4.503576432055E-01 -1.248643435309E-02 -3.536733578562E-01 1 -4.193644242373E-01 -1.206411818365E-01 -4.689431012491E-01 1 -4.293568702752E-01 -1.783273468709E-01 1.639561839148E-01 1 -4.787300982199E-01 -2.107950691259E-01 -1.102230052042E-01 1 4.545047588600E-01 -1.132692859928E-01 -8.973976202641E-02 1 4.384922533802E-01 1.843360278623E-02 2.065275495824E-01 1 4.880773331697E-01 5.030123536396E-02 4.802942625604E-01 1 -4.258008582290E-01 3.510262300074E-01 -3.170407552907E-02 1 -4.045756261558E-01 2.299842546431E-01 1.070068020073E-01 1 -4.624724184768E-01 9.768098001360E-02 4.140610601091E-03 1 -4.829313110656E-01 2.197631752113E-01 -1.379294821585E-01 1 -4.797556678099E-01 2.282935791441E-01 1.315224845019E-01 6 3.713502900642E-01 5.898806456427E-02 -1.648682993898E-01 6 3.717619132873E-01 1.851397570233E-01 -8.971810400017E-02 8 3.716404582608E-01 2.678442489674E-01 -2.177147090489E-01 8 3.722944274454E-01 2.079146592478E-01 1.066750228587E-01 6 3.664613066446E-01 -4.446723072204E-02 -6.080885664270E-02 6 3.601422355683E-01 -6.550798369617E-02 1.625618876657E-01 8 3.499771302041E-01 -1.704609243613E-01 2.132595259280E-01 8 3.649156728931E-01 2.017217081862E-02 2.915569660801E-01 1 3.699363089291E-01 1.232926288672E-01 1.970770831591E-01 1 3.660815603049E-01 -1.273294867182E-01 -1.495586881940E-01 1 3.738625291316E-01 5.330720472643E-02 -3.308450814353E-01 FREQCALC INTENS NUMDERIV 2 END END 1 4 0 0 3 1.0 1.0 34.0613410 0.60251978E-02 5.1235746 0.45021094E-01 1.1646626 0.20189726 0 0 1 0.0 1.0 0.32723041 1.0000000 0 0 1 0.0 1.0 0.10307241 1.0000000 0 2 1 0.0 1.0 0.8000000 1.0000000 6 10 0 0 5 2.0 1.0 8506.0384000 0.53373664E-03 1275.7329000 0.41250232E-02 290.3118700 0.21171337E-01 82.0562000 0.82417860E-01 26.4796410 0.24012858 0 0 1 2.0 1.0 9.2414585 1.0000000 0 0 1 0.0 1.0 3.3643530 1.0000000 0 0 1 0.0 1.0 0.87174164 1.0000000 0 0 1 0.0 1.0 0.36352352 1.0000000 0 0 1 0.0 1.0 0.12873135 1.0000000 0 2 4 2.0 1.0 34.7094960 0.53300974E-02 7.9590883 0.35865814E-01 2.3786972 0.14200299 0.81540065 0.34203105 0 2 1 0.0 1.0 0.28953785 1.0000000 0 2 1 0.0 1.0 0.10084754 1.0000000 0 3 1 0.0 1.0 0.8000000 1.0000000 7 10 0 0 5 2.0 1.0 11913.4167560 -0.52297017365E-03 1786.7213834 -0.40428404036E-02 406.59012834 -0.20772715125E-01 114.92525065 -0.81183137849E-01 37.105883422 -0.23871497395 0 0 1 2.0 1.0 12.971676198 1.0000000 0 0 1 0.0 1.0 4.7302291164 1.0000000 0 0 1 0.0 1.0 1.2525184258 1.0000000 0 0 1 0.0 1.0 0.51260071231 1.0000000 0 0 1 0.0 1.0 0.17939714002 1.0000000 0 2 4 3.0 1.0 49.218758392 0.55526953476E-02 11.348935304 0.38054617957E-01 3.4285088246 0.14941412242 1.1799512559 0.34898187368 0 2 1 0.0 1.0 0.41726122577 1.0000000 0 2 1 0.0 1.0 0.14295131280 1.0000000 0 3 1 0.0 1.0 1.0000000 1.0000000 8 10 0 0 5 2.0 1.0 15902.6474590 0.51499803703E-03 2384.9537829 0.39819764428E-02 542.71957182 0.20476971922E-01 153.40407874 0.80262367915E-01 49.545716140 0.23766839947 0 0 1 2.0 1.0 17.339649897 1.0000000 0 0 1 0.0 1.0 6.3303355272 1.0000000 0 0 1 0.0 1.0 1.6995882201 1.0000000 0 0 1 0.0 1.0 0.68954491271 1.0000000 0 0 1 0.0 1.0 0.23936028181 1.0000000 0 2 4 4.0 1.0 63.270524011 0.60709205960E-02 14.623312295 0.41947688723E-01 4.4489518003 0.16156883988 1.5281513180 0.35682779292 0 2 1 0.0 1.0 0.52997315870 1.0000000 0 2 1 0.0 1.0 0.17509445998 1.0000000 0 3 1 0.0 1.0 1.2000000 1.0000000 35 17 0 0 6 2.0 1.00 646312.4103900 0.20844173405E-03 96873.0389000 0.16169556764E-02 22048.9675740 0.84224934763E-02 6248.3557482 0.34360876797E-01 2048.7467977 0.11206361063 754.70826963 0.27360431084 0 0 2 2.0 1.00 302.69689103 0.40561279803 124.16866898 0.32541501049 0 0 1 2.0 1.00 31.544281070 1.0000000 0 0 1 2.0 1.00 14.029435981 1.0000000 0 0 1 0.0 1.00 4.9416679228 1.0000000 0 0 1 0.0 1.00 2.0756618020 1.0000000 0 0 1 0.0 1.00 0.42101474441 1.0000000 0 0 1 0.0 1.00 0.16058114367 1.0000000 0 2 3 6.0 1.00 3890.7181798 0.15119787124E-02 923.85869493 0.12529302998E-01 300.75537085 0.60405586937E-01 0 2 3 6.0 1.00 115.96376914 0.21102288964 49.093271078 0.40341288321 21.810392052 0.37386481043 0 2 1 5.0 1.00 9.6190135611 1.0000000 0 2 2 0.0 1.00 4.1341549028 0.59931625011 1.7549598851 0.33979400209 0 2 1 0.0 1.00 0.52801532318 1.0000000 0 2 1 0.0 1.00 0.15604837959 1.0000000 0 3 4 10.0 1.00 104.85732970 0.22649313036E-01 30.280080540 0.13456249533 10.651497127 0.36469674660 3.8705893430 0.49046476885 0 3 1 0.0 1.00 1.3242996938 1.0000000 0 3 1 0.0 1.00 0.3890000 1.0000000 99 0 END DFT PBE-D XXLGRID END EXCHSIZE 80000000 BIPOSIZE 80000000 MAXCYCLE 200 SCFDIR DFTD3 ABC END TOLINTEG 9 9 9 9 18 TOLDEE 10 SHRINK 7 7 END END