%chk=000201292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201292

0 1
O -3.209294 -3.223057 1.103949
O -0.983847 2.164691 -0.581956
O -2.849824 1.932964 -2.551423
N 0.363036 -3.130948 0.913256
N 3.220047 1.536046 -0.964754
C 1.185341 -2.323176 -0.037558
C 2.288330 -1.616625 0.796560
C 2.533391 -0.238300 0.304547
C -0.991574 -3.477293 0.401780
C 2.053727 0.975119 0.925655
C 1.799537 -3.164244 -1.167085
C -1.997464 -2.444886 0.964896
C 2.495043 2.071319 0.106448
C 3.237841 0.129677 -0.833245
C -2.223589 -1.272015 0.036820
C 1.310870 1.248669 2.090184
C 2.185170 3.411497 0.425105
C 1.008272 2.563495 2.396239
C -1.464520 -0.102038 0.220454
C -3.161669 -1.352504 -0.996208
C 1.443161 3.634888 1.569544
C -1.662492 0.968129 -0.644959
C -3.374821 -0.271918 -1.861649
C -2.624839 0.891410 -1.688237
H 0.520639 -1.541168 -0.494424
H 3.225489 -2.207068 0.786232
H 1.980472 -1.585288 1.866332
H 0.860856 -3.980907 1.192372
H -1.062163 -3.518586 -0.704900
H -1.300454 -4.483691 0.769455
H -1.696572 -2.108752 1.985008
H 1.025610 -3.646883 -1.773962
H 2.460171 -3.950821 -0.789531
H 2.391971 -2.537117 -1.842330
H 3.743995 -0.492526 -1.548989
H 3.650657 2.056133 -1.702875
H 0.993075 0.428580 2.733003
H 2.525181 4.226779 -0.204925
H 0.436217 2.798973 3.291935
H -0.724419 -0.043232 1.018392
H -3.735044 -2.272350 -1.129647
H 1.182140 4.652979 1.858736
H -3.947429 -2.655915 1.399455
H -4.107818 -0.324807 -2.664791
H -0.250323 2.137259 0.094916
H -2.257784 2.706507 -2.328023


%chk=000201292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201292

0 1
O -3.336425 -3.501923 0.992772
O -1.494972 2.265621 0.017845
O -2.687611 1.977864 -2.365405
N 0.360380 -3.167187 0.925752
N 3.658598 1.454174 -0.883467
C 1.057173 -2.203084 0.031480
C 2.300337 -1.631745 0.790081
C 2.717139 -0.263644 0.310364
C -0.993606 -3.627329 0.549687
C 2.179193 0.999500 0.790722
C 1.462773 -2.792786 -1.344093
C -2.118423 -2.656936 1.006065
C 2.782809 2.058616 0.020713
C 3.617949 0.059652 -0.704636
C -2.301897 -1.425050 0.128020
C 1.257398 1.338160 1.816420
C 2.472511 3.420916 0.233080
C 0.937403 2.697206 2.032572
C -1.833754 -0.158280 0.563639
C -2.924587 -1.531399 -1.142837
C 1.540275 3.727703 1.244307
C -1.940544 0.961443 -0.281037
C -3.069880 -0.398839 -1.975501
C -2.574094 0.848242 -1.549928
H 0.358609 -1.366894 -0.143535
H 3.140356 -2.349977 0.702453
H 2.026878 -1.583819 1.861006
H 0.972458 -3.957596 1.167349
H -1.120137 -3.821652 -0.539378
H -1.188189 -4.580162 1.074913
H -1.880054 -2.343814 2.044467
H 0.580147 -3.164197 -1.895566
H 2.170400 -3.635509 -1.213643
H 1.948408 -2.024308 -1.973632
H 4.236097 -0.598218 -1.313190
H 4.238282 1.943046 -1.561860
H 0.814739 0.554644 2.442171
H 2.935060 4.216405 -0.361570
H 0.257098 2.975755 2.845422
H -1.371407 -0.058998 1.552309
H -3.294652 -2.506421 -1.477334
H 1.275744 4.773280 1.435111
H -4.126615 -2.907658 1.061215
H -3.550653 -0.466919 -2.956088
H -0.735983 2.283077 0.666510
H -2.260433 2.738041 -1.883945


