%chk=000248394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248394

0 1
O 2.956337 2.166038 -1.848496
O -2.959944 2.187712 1.815438
O -0.681634 -0.120513 -0.842732
O 0.681331 -0.106974 0.843482
N 8.619650 -1.966916 -1.246790
N -8.616838 -1.962288 1.274421
N 8.803840 -1.825515 1.075429
N -8.801969 -1.854005 -1.049503
N 3.072478 1.196382 0.249417
N -3.074818 1.187657 -0.268222
N -0.000562 0.437422 -0.003727
C 9.879748 -2.715583 -0.914980
C -9.875950 -2.717399 0.953655
C 8.059966 -1.557511 0.032212
C -8.058157 -1.570196 -0.010431
C 10.009972 -2.571933 0.631224
C -10.006872 -2.595818 -0.594382
C 6.774530 -0.842084 0.058664
C -6.773775 -0.853344 -0.047431
C 4.331030 0.515552 0.137327
C -4.332314 0.506621 -0.146126
C 5.926718 -0.982191 1.172676
C -5.926124 -1.007944 -1.159648
C 6.395038 -0.008537 -1.004853
C -6.395157 -0.004301 1.004072
C 1.174496 2.625202 -0.337158
C -1.179151 2.627930 0.297205
C -0.001731 1.934524 -0.014807
C 4.706727 -0.313781 1.215908
C 5.176053 0.668295 -0.973793
C -4.707132 -0.338424 -1.212751
C -5.177176 0.673802 0.963024
C 2.475118 1.968494 -0.751692
C -2.478565 1.975102 0.721531
C 1.162641 4.027833 -0.354207
C -1.169748 4.030656 0.293231
C -0.004154 4.726726 -0.035721
H 10.718723 -2.218488 -1.442885
H 9.849658 -3.769692 -1.239811
H -10.715481 -2.214106 1.474760
H -9.844224 -3.766765 1.293349
H 10.054448 -3.546817 1.154056
H 10.916018 -2.000884 0.918154
H -10.050093 -3.578061 -1.103361
H -10.913839 -2.030199 -0.889053
H 7.983793 -2.460494 -1.870034
H -7.980065 -2.446083 1.904365
H 6.234912 -1.615695 2.009746
H -6.233662 -1.653669 -1.987570
H 7.061855 0.120925 -1.861718
H -7.061879 0.136282 1.859257
H 4.055130 -0.438061 2.079434
H 4.887477 1.310531 -1.812762
H -4.055640 -0.473942 -2.074661
H -4.889240 1.328244 1.792731
H 2.545354 1.017163 1.118352
H -2.547480 0.996672 -1.134516
H 2.073799 4.571454 -0.628051
H -2.081847 4.576754 0.558887
H -0.005118 5.819941 -0.043935


%chk=000248394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248394

0 1
O 3.276619 2.838570 -1.523357
O -3.280763 2.853358 1.481437
O -0.662988 0.047805 -0.925942
O 0.663365 0.062027 0.922277
N 8.902413 -1.656491 -1.097960
N -8.900620 -1.654241 1.120796
N 8.294340 -2.622084 0.904162
N -8.291052 -2.647884 -0.867086
N 3.049224 1.192813 0.133685
N -3.051180 1.184847 -0.152309
N -0.000297 0.670965 -0.006188
C 9.973227 -2.663900 -0.908472
C -9.970752 -2.664896 0.945278
C 7.964636 -1.773325 -0.059158
C -7.962634 -1.784812 0.083875
C 9.632891 -3.191185 0.536231
C -9.628695 -3.213734 -0.491037
C 6.718230 -0.977606 -0.046447
C -6.717211 -0.987768 0.059765
C 4.290010 0.505081 0.023258
C -4.290877 0.496882 -0.031630
C 5.697707 -1.309660 0.885157
C -5.696094 -1.332293 -0.866666
C 6.502361 0.109561 -0.931464
C -6.502782 0.112580 0.928705
C 1.226431 2.842713 -0.260271
C -1.231229 2.843662 0.217347
C -0.001726 2.156707 -0.016662
C 4.500423 -0.581900 0.919652
C 5.304367 0.851875 -0.908321
C -4.499739 -0.603583 -0.911788
C -5.305751 0.856028 0.894700
C 2.594610 2.262950 -0.618263
C -2.598188 2.266429 0.584059
C 1.183939 4.259496 -0.301627
C -1.191547 4.260962 0.238578
C -0.004510 4.964553 -0.036564
H 10.977156 -2.207277 -0.966239
H 9.908481 -3.467535 -1.669664
H -10.974939 -2.207871 0.995081
H -9.906609 -3.456940 1.718558
H 9.598525 -4.293620 0.587558
H 10.379658 -2.846414 1.276367
H -9.592103 -4.316778 -0.525226
H -10.375802 -2.882029 -1.236757
H 8.679970 -1.269541 -2.013354
H -8.678784 -1.254123 2.030649
H 5.874694 -2.145157 1.568803
H -5.871875 -2.178020 -1.537930
H 7.285328 0.414000 -1.635484
H -7.286171 0.426335 1.628129
H 3.716595 -0.855227 1.636829
H 5.146624 1.690767 -1.587282
H -3.715451 -0.886525 -1.624724
H -5.149181 1.705022 1.561272
H 2.403022 0.824806 0.844805
H -2.404613 0.807756 -0.858301
H 2.109002 4.783901 -0.556904
H -2.117581 4.787140 0.486576
H -0.005605 6.058530 -0.044313


