%chk=000252419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252419

0 1
O 3.882562 1.256026 -0.021193
O -2.978514 -1.014379 -2.410123
O -7.185621 -1.400832 -0.537873
N 6.995992 -0.387487 -0.984480
N -2.049730 0.086779 0.333804
N -5.534106 -0.573444 0.834019
N -5.078290 -1.207860 -1.479195
N -3.530963 0.293913 2.072324
C -3.299898 -0.357916 -0.133748
C -4.195170 -0.217492 0.962335
C 6.012667 0.727532 -0.827319
C -2.226922 0.468601 1.658929
C -1.149768 1.005754 2.536803
C 8.405814 0.064846 -0.746005
C 6.843551 -1.059275 -2.319091
C 4.843417 0.149301 -0.015524
C 0.196939 1.034587 1.871579
C -3.679298 -0.863563 -1.430140
C -6.017199 -1.086188 -0.412141
C 2.693146 1.088717 0.634972
C 1.044484 -0.077538 1.943851
C 0.614182 2.185435 1.174186
C -6.462306 -0.424319 1.980724
C 8.623795 0.344361 0.741281
C 7.460271 -2.457574 -2.270802
C 2.297912 -0.064780 1.326164
C 1.854121 2.223466 0.552976
C -5.627884 -1.745815 -2.754708
H 5.638496 1.145127 -1.786744
H 6.450321 1.590505 -0.279253
H -1.444875 2.025667 2.885810
H -1.116716 0.402093 3.477079
H -1.207360 0.106468 -0.219839
H 8.680097 0.956435 -1.350079
H 9.086701 -0.757473 -1.065312
H 7.290754 -0.471297 -3.149676
H 5.756958 -1.150003 -2.543745
H 4.380123 -0.727684 -0.495295
H 5.125359 -0.078342 1.024981
H 0.728710 -0.969800 2.486795
H -0.042119 3.055390 1.121214
H -6.502387 0.631121 2.304328
H -6.117009 -1.036119 2.833173
H -7.479774 -0.751139 1.691938
H 8.058216 1.217232 1.086130
H 8.299261 -0.509352 1.351776
H 9.682230 0.526069 0.955069
H 8.552334 -2.423688 -2.184013
H 7.089454 -3.020880 -1.403411
H 7.212726 -3.027104 -3.172664
H 2.941777 -0.936202 1.393041
H 2.197219 3.101513 0.009325
H -4.827664 -1.797258 -3.517277
H -6.437657 -1.095898 -3.128891
H -6.039855 -2.757838 -2.599368


%chk=000252419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252419

0 1
O 3.859841 1.297825 -0.128666
O -3.025490 -1.010171 -2.447123
O -7.372793 -1.167187 -0.606491
N 7.122089 -0.303414 -0.992884
N -2.130882 -0.070257 0.384543
N -5.628024 -0.495292 0.812939
N -5.205444 -1.079023 -1.497074
N -3.611351 0.184031 2.090694
C -3.385129 -0.413017 -0.130195
C -4.270634 -0.246202 0.945814
C 6.083457 0.752286 -0.907314
C -2.303058 0.281642 1.712490
C -1.175291 0.700799 2.623498
C 8.509814 0.211561 -0.850747
C 6.937100 -1.195667 -2.170869
C 4.889058 0.237943 -0.093222
C 0.168141 0.834756 1.918570
C -3.783000 -0.843953 -1.441852
C -6.143300 -0.926757 -0.434786
C 2.666442 1.075925 0.565647
C 1.124032 -0.207532 1.962089
C 0.488906 2.006146 1.178154
C -6.539721 -0.317590 1.959090
C 8.851621 0.617412 0.595384
C 7.533478 -2.601028 -1.965041
C 2.367080 -0.101232 1.296912
C 1.719392 2.131265 0.509124
C -5.777479 -1.529974 -2.786348
H 5.728454 1.086694 -1.908938
H 6.494142 1.643852 -0.402207
H -1.468419 1.655041 3.100360
H -1.108738 -0.037878 3.444818
H -1.249763 -0.069681 -0.131213
H 8.699398 1.072028 -1.541158
H 9.198731 -0.595064 -1.160016
H 7.362400 -0.735628 -3.098558
H 5.849499 -1.297481 -2.347172
H 4.480728 -0.695098 -0.532833
H 5.197858 0.036672 0.950916
H 0.902090 -1.119408 2.529975
H -0.231381 2.832201 1.132925
H -6.500977 0.725498 2.315137
H -6.241827 -0.983258 2.786558
H -7.554881 -0.566397 1.617593
H 8.204068 1.436336 0.959099
H 8.722565 -0.245310 1.271902
H 9.898717 0.967333 0.661110
H 8.626998 -2.567344 -1.810710
H 7.080647 -3.081261 -1.080155
H 7.341242 -3.234297 -2.851079
H 3.083186 -0.925372 1.358942
H 1.972457 3.032778 -0.057012
H -4.947236 -1.599974 -3.504379
H -6.534305 -0.809617 -3.137406
H -6.266003 -2.510263 -2.662139


