%chk=000267972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267972

0 1
O -2.789343 -1.053269 0.239588
O -1.258561 -0.351233 1.593608
N 3.118771 -1.834554 -0.820873
N 3.615359 -2.503969 -1.893066
N -1.623697 -0.908445 0.566688
C 2.237833 2.914683 1.392226
C 1.011580 3.248473 0.531675
C 2.758222 1.481737 1.207439
C -0.298992 2.751552 1.154415
C 3.346787 1.244291 -0.191184
C -1.489343 2.982143 0.213328
C 4.460291 0.192621 -0.219225
C -2.799125 2.484317 0.838461
C 4.012319 -1.218494 0.185011
C -3.940022 2.444038 -0.187003
C -5.109594 1.586206 0.316936
C 1.714399 -1.794117 -0.858488
C 1.330832 -2.525621 -2.040323
C -6.286044 1.601315 -0.656575
C 0.756791 -1.229967 0.005654
C 2.570909 -2.936375 -2.642481
C -0.035237 -2.699005 -2.344586
C -0.571113 -1.444650 -0.327001
C -0.976672 -2.165506 -1.489880
H 1.996054 3.076237 2.461964
H 3.049584 3.633416 1.164067
H 0.955853 4.345712 0.388132
H 1.132001 2.824470 -0.483330
H 3.522553 1.280919 1.983038
H 1.934938 0.758678 1.396234
H -0.477312 3.261998 2.119986
H -0.222425 1.672536 1.402746
H 3.756091 2.195100 -0.591636
H 2.538482 0.960354 -0.893968
H -1.309517 2.464491 -0.748563
H -1.577335 4.056320 -0.036160
H 5.286578 0.502923 0.453398
H 4.904804 0.159999 -1.237336
H -3.080981 3.128745 1.692064
H -2.648485 1.474989 1.276130
H 3.481339 -1.204649 1.164114
H 4.908759 -1.875884 0.306493
H -4.285571 3.470802 -0.408220
H -3.575937 2.035179 -1.149165
H -4.760523 0.542242 0.469332
H -5.440347 1.942819 1.311056
H -5.997407 1.216092 -1.640875
H -7.108845 0.978045 -0.289401
H -6.678020 2.613910 -0.800907
H 1.050400 -0.639345 0.884964
H 2.702183 -3.507053 -3.547925
H -0.326000 -3.249169 -3.239070
H -2.048264 -2.280046 -1.683002


%chk=000267972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267972

0 1
O -3.225280 -1.517728 -0.319945
O -1.881792 -1.067833 1.466157
N 2.875534 -1.643688 -0.611167
N 3.611757 -1.994941 -1.741512
N -2.060483 -1.398492 0.227357
C 2.416892 3.273442 0.902606
C 1.126715 3.177665 0.046608
C 3.064430 1.908987 1.257919
C -0.123259 2.742160 0.847788
C 3.820730 1.266642 0.069015
C -1.398969 2.636769 -0.018647
C 4.534942 -0.062797 0.408387
C -2.667548 2.302162 0.798801
C 3.590754 -1.268245 0.622400
C -3.930831 2.117763 -0.072723
C -5.175190 1.704553 0.745954
C 1.506963 -1.714568 -0.853867
C 1.358396 -2.132452 -2.228049
C -6.437678 1.530074 -0.125115
C 0.397798 -1.469021 -0.018713
C 2.701416 -2.286741 -2.710204
C 0.056908 -2.293865 -2.778673
C -0.865712 -1.644482 -0.610739
C -1.057999 -2.047144 -1.968702
H 2.175342 3.819338 1.837457
H 3.172129 3.887878 0.370165
H 0.920964 4.168141 -0.408318
H 1.283982 2.479680 -0.801436
H 3.782869 2.051885 2.091314
H 2.281564 1.221744 1.639658
H -0.296987 3.471710 1.666556
H 0.056791 1.763968 1.340434
H 4.582652 1.988915 -0.287036
H 3.131623 1.106573 -0.783978
H -1.248605 1.860331 -0.799087
H -1.552316 3.593118 -0.562279
H 5.134491 0.060729 1.332653
H 5.237841 -0.331664 -0.401550
H -2.846801 3.109363 1.540043
H -2.495018 1.375476 1.383338
H 2.828383 -1.047163 1.388927
H 4.171402 -2.144288 0.964986
H -4.144693 3.058678 -0.623204
H -3.736304 1.340407 -0.840973
H -4.954805 0.754135 1.271495
H -5.365412 2.465066 1.531301
H -6.278659 0.748882 -0.892319
H -7.312204 1.232280 0.482759
H -6.694010 2.470735 -0.649508
H 0.470568 -1.163347 1.027706
H 3.048347 -2.591665 -3.695469
H -0.073497 -2.607667 -3.818853
H -2.079133 -2.155459 -2.341215


