%chk=000297078.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297078

0 1
O -2.582626 -3.602422 0.203934
O 3.303771 -0.389612 0.534269
O 2.602436 2.412189 0.529455
O 5.790360 -1.112679 0.102483
N -4.618725 -0.639448 0.261107
N -0.346542 -0.752231 0.725169
N -4.728845 -2.939025 -0.271003
C -3.210647 -1.181426 0.309255
C -2.292197 -0.644465 -0.804924
C -2.616769 -0.903411 1.702157
C -0.854690 -1.157983 -0.628628
C -1.167982 -1.402301 1.800901
C -3.402228 -2.715235 0.104853
C -5.550651 -1.705020 -0.251288
C 1.100702 -1.100383 0.877688
C -4.867208 0.710929 -0.139217
C 1.928386 0.060406 0.300698
C 1.696492 1.385916 1.032169
C -5.932067 1.046208 -0.999621
C -4.093158 1.743204 0.437966
C 4.233610 0.617088 0.319127
C -6.213569 2.388347 -1.267056
C -4.386047 3.074163 0.154354
C 3.898140 1.980944 0.339774
C -5.446034 3.406320 -0.698436
C 5.581177 0.239157 0.096006
C 4.867980 2.975046 0.124136
C 6.554050 1.226902 -0.104870
C 6.183975 2.579786 -0.094917
C 7.162942 -1.589915 -0.097401
C 7.007951 -3.095748 -0.018270
H -2.284055 0.466260 -0.785239
H -2.675273 -0.927249 -1.802876
H -3.237355 -1.368751 2.491223
H -2.650955 0.194632 1.895091
H -0.824465 -2.262435 -0.783775
H -0.201897 -0.699741 -1.401995
H -0.746452 -1.114616 2.787684
H -1.147421 -2.516666 1.741713
H -5.949190 -1.492255 -1.273975
H -6.402733 -1.788432 0.466283
H 1.363418 -1.237320 1.950477
H 1.399947 -2.049312 0.378861
H -5.150321 -3.850278 -0.377839
H 1.804689 0.177413 -0.797187
H 0.700704 1.818611 0.823178
H 1.863509 1.303562 2.119277
H -6.541136 0.276228 -1.466043
H -3.274348 1.496314 1.120802
H -7.041126 2.638604 -1.931082
H -3.784968 3.865005 0.604221
H -5.668621 4.448080 -0.913220
H 4.574606 4.020519 0.135945
H 7.591166 0.962269 -0.274300
H 6.950213 3.337759 -0.260951
H 7.512016 -1.245172 -1.085408
H 7.796064 -1.180397 0.707847
H 7.968811 -3.605629 -0.144467
H 6.580560 -3.399873 0.948269
H 6.317426 -3.465027 -0.790082


%chk=000297078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297078

0 1
O -2.781399 -3.729449 -0.032269
O 3.335987 -0.395417 0.542415
O 2.572313 2.414124 0.283327
O 5.912533 -1.116693 0.310085
N -4.574269 -0.609381 -0.212092
N -0.377631 -0.847683 0.656145
N -4.931492 -2.862620 -0.423119
C -3.247166 -1.253473 0.025846
C -2.188600 -0.851819 -1.053666
C -2.719144 -1.007212 1.478110
C -0.764694 -1.324958 -0.701515
C -1.263554 -1.472775 1.676861
C -3.583647 -2.761184 -0.137586
C -5.641679 -1.588407 -0.493259
C 1.061311 -1.068024 0.944301
C -4.883589 0.761603 -0.192385
C 1.930938 0.031110 0.316848
C 1.711627 1.410576 0.946346
C -6.228087 1.184051 -0.443494
C -3.912225 1.779589 0.068728
C 4.277594 0.622640 0.272452
C -6.576891 2.549736 -0.432382
C -4.278689 3.139638 0.075411
C 3.911392 1.985250 0.127157
C -5.609902 3.545826 -0.173426
C 5.645014 0.247375 0.135315
C 4.877517 2.967038 -0.183787
C 6.615791 1.232837 -0.165464
C 6.222577 2.582913 -0.332109
C 7.315417 -1.555347 0.181004
C 7.324029 -3.062684 0.421512
H -2.183528 0.245043 -1.163254
H -2.490581 -1.276337 -2.029729
H -3.379073 -1.531162 2.195348
H -2.781460 0.069923 1.704703
H -0.704950 -2.436720 -0.761952
H -0.061689 -0.908908 -1.446014
H -0.923181 -1.154016 2.679750
H -1.212092 -2.585479 1.632897
H -6.092404 -1.428581 -1.497964
H -6.458162 -1.534969 0.260934
H 1.214537 -1.048054 2.039568
H 1.431958 -2.056218 0.583694
H -5.384422 -3.763648 -0.573287
H 1.766774 0.105162 -0.777462
H 0.675427 1.747632 0.797558
H 1.953428 1.377798 2.027858
H -7.013489 0.450450 -0.649326
H -2.869208 1.524633 0.267140
H -7.617502 2.832872 -0.629516
H -3.506382 3.890731 0.278269
H -5.883763 4.605513 -0.166119
H 4.554646 4.006242 -0.291784
H 7.668376 0.959325 -0.275308
H 6.978513 3.338022 -0.571098
H 7.690109 -1.306015 -0.833490
H 7.939984 -1.023800 0.928788
H 8.354420 -3.454885 0.341679
H 6.934819 -3.296492 1.426937
H 6.692316 -3.577836 -0.321831


