%chk=000188876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188876

0 1
S 2.085879 1.361105 0.897722
O 2.684894 -0.710439 -0.592401
N 0.655587 -0.912350 0.500920
C 0.320171 -2.249065 -0.162887
C 1.439530 -3.239895 0.195751
C -1.024113 -2.795926 0.341654
C 0.243999 -2.028160 -1.681921
C -0.349205 -0.256267 1.374408
C -1.485623 0.395771 0.616870
C 1.825800 -0.272180 0.144799
C -2.788966 0.281969 1.127488
C -1.264805 1.130847 -0.555294
C -3.856898 0.896346 0.469029
C -2.337542 1.740317 -1.212902
C 3.781086 1.752263 0.326438
C -3.634412 1.624944 -0.703973
C 3.778936 3.172592 -0.187265
H 1.559615 -3.348426 1.278048
H 1.240048 -4.230884 -0.222277
H 2.411877 -2.911062 -0.206283
H -1.864858 -2.143087 0.073583
H -1.036098 -2.941403 1.426832
H -1.228320 -3.773165 -0.113335
H 1.210160 -1.690979 -2.088571
H -0.016126 -2.953258 -2.204974
H -0.504784 -1.273103 -1.945970
H 0.123844 0.506248 2.043143
H -0.738994 -1.025472 2.086428
H -2.973915 -0.281823 2.039512
H -0.256694 1.236246 -0.956984
H -4.864843 0.807171 0.870798
H -2.158874 2.310208 -2.123653
H 4.470799 1.615846 1.179912
H 4.084359 1.023932 -0.459901
H -4.467060 2.101746 -1.216692
H 3.099320 3.303258 -1.041635
H 3.476868 3.898098 0.580150
H 4.782057 3.465539 -0.529165


%chk=000188876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188876

0 1
S 2.011437 1.438114 1.304714
O 2.780733 -0.570544 -0.414813
N 0.639115 -0.865949 0.513108
C 0.419822 -2.189712 -0.237779
C 1.539050 -3.193721 0.151360
C -0.944278 -2.815358 0.149584
C 0.424475 -1.913082 -1.766139
C -0.419035 -0.318505 1.396202
C -1.566247 0.401338 0.682149
C 1.832712 -0.193732 0.327126
C -2.886884 0.278442 1.181639
C -1.334348 1.228912 -0.444219
C -3.957516 0.972166 0.573207
C -2.403493 1.918827 -1.057693
C 3.744406 1.893506 0.686740
C -3.718602 1.794644 -0.551473
C 3.711512 2.666070 -0.637794
H 1.548407 -3.358046 1.244427
H 1.344372 -4.163746 -0.341844
H 2.529049 -2.830344 -0.161958
H -1.793266 -2.140825 -0.051245
H -0.973507 -3.134752 1.207007
H -1.080862 -3.719891 -0.468710
H 1.378011 -1.460592 -2.080458
H 0.294738 -2.864812 -2.313153
H -0.405757 -1.238170 -2.040049
H 0.060235 0.380986 2.106696
H -0.827269 -1.134612 2.016038
H -3.080176 -0.364508 2.050427
H -0.316460 1.337123 -0.834145
H -4.973246 0.866517 0.970884
H -2.210283 2.556704 -1.927687
H 4.180427 2.481537 1.511996
H 4.286167 0.939764 0.580077
H -4.546668 2.330858 -1.028397
H 3.277624 2.038658 -1.434623
H 3.117835 3.593098 -0.552683
H 4.740471 2.941140 -0.941117


