%chk=000194529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194529

0 1
O 0.622328 -1.113372 -0.902117
O 2.017278 3.691072 0.965775
O -1.981938 -0.680794 -0.762645
O -1.158936 1.165173 0.560551
O -4.174763 -0.999581 0.556618
O -3.300169 1.786546 -0.989741
N 1.293782 -3.248515 -0.471778
N 1.726843 1.451898 0.580882
C 3.914961 -1.761079 0.364005
C 3.911301 -0.501112 -0.511667
C 3.797143 -3.050365 -0.458584
C 4.137119 0.780749 0.296611
C 2.516835 -3.124286 -1.302733
C 2.995007 1.105849 1.271105
C 0.422049 -2.188483 -0.312830
C 1.376475 2.805845 0.424987
C -0.801988 -2.400287 0.499940
C 0.130435 3.051344 -0.363377
C -1.927657 -1.619849 0.203194
C -1.016837 2.264446 -0.254944
C -0.882466 -3.344649 1.552796
C 0.109811 4.159577 -1.234457
C -3.144734 -1.819995 0.941519
C -2.168908 2.544634 -1.045299
C -2.057615 -3.521703 2.259065
C -1.021436 4.445095 -1.993102
C -3.209596 -2.760771 1.953032
C -2.166218 3.638861 -1.912079
H 4.844022 -1.798532 0.966017
H 3.083121 -1.706176 1.094080
H 4.693557 -0.580849 -1.291093
H 2.944602 -0.436545 -1.059914
H 3.861065 -3.923692 0.219216
H 4.669330 -3.138692 -1.138810
H 5.083890 0.708551 0.867575
H 4.279766 1.632823 -0.399865
H 2.425498 -2.211769 -1.945698
H 2.557933 -3.999961 -1.989102
H 3.295126 1.959767 1.927404
H 2.787656 0.238203 1.936277
H 1.173965 -4.116370 0.039379
H 1.397195 0.750648 -0.099541
H -0.001328 -3.928552 1.814864
H 0.994241 4.796989 -1.294637
H -2.111741 -4.250083 3.067169
H -1.024597 5.305879 -2.661407
H -4.125286 -2.915785 2.519344
H -3.053383 3.850994 -2.507475
H -1.028890 -0.387441 -1.064284
H -0.456724 1.124711 1.267639
H -4.985922 -1.148915 1.107396
H -3.150400 0.924851 -0.465664


%chk=000194529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194529

0 1
O 0.434021 -1.029980 -0.889523
O 2.418561 3.751919 0.407824
O -2.100980 -0.657793 -0.648036
O -0.993693 1.476421 0.884385
O -4.333317 -1.085271 0.731215
O -3.288070 1.889374 -0.639157
N 1.243522 -3.171528 -0.490450
N 1.761502 1.510430 0.614332
C 3.903473 -1.718465 0.375253
C 4.055273 -0.391077 -0.406696
C 3.766297 -2.962751 -0.532964
C 4.216497 0.853503 0.499360
C 2.444493 -3.015986 -1.337705
C 2.983817 1.175845 1.380274
C 0.296104 -2.195389 -0.325975
C 1.567648 2.843096 0.170095
C -0.921519 -2.507188 0.475000
C 0.271120 3.086889 -0.540508
C -2.075724 -1.692476 0.259968
C -0.914645 2.377515 -0.192669
C -0.977969 -3.560145 1.434468
C 0.212870 4.093316 -1.541173
C -3.268594 -1.950090 0.998647
C -2.124429 2.598673 -0.916940
C -2.158653 -3.804842 2.153094
C -0.995158 4.351320 -2.215441
C -3.307622 -3.001859 1.932147
C -2.153523 3.594424 -1.916104
H 4.787813 -1.850065 1.031140
H 3.024398 -1.669757 1.048324
H 4.942745 -0.466810 -1.067439
H 3.183660 -0.243213 -1.074269
H 3.859364 -3.886134 0.074721
H 4.600609 -2.982621 -1.263176
H 5.086200 0.709712 1.173214
H 4.435718 1.743545 -0.119414
H 2.302211 -2.092744 -1.922169
H 2.473940 -3.864928 -2.047304
H 3.214167 2.052882 2.008458
H 2.746065 0.327476 2.048563
H 1.062557 -4.090410 -0.082686
H 1.355812 0.757224 0.034501
H -0.086757 -4.159165 1.656147
H 1.125445 4.655728 -1.761725
H -2.194734 -4.605271 2.898004
H -1.039866 5.126484 -2.987280
H -4.225324 -3.189939 2.503551
H -3.097088 3.756679 -2.446373
H -1.131248 -0.488481 -0.936954
H -0.088083 1.408838 1.310920
H -5.109700 -1.273652 1.314259
H -3.078406 0.973038 -0.292140


