%chk=000206737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206737

0 1
O 2.212123 0.983422 -1.873932
O 4.119420 -3.702850 -1.101228
O 2.234977 -3.709575 0.103434
N 0.529777 -1.323767 -0.784688
N 2.115024 1.576870 0.309897
C 1.869348 -0.853633 -0.319658
C 2.065759 0.627924 -0.716289
C -0.601686 -0.468894 -0.318371
C 2.940975 -1.669002 -1.070203
C -1.931281 -1.213946 -0.523091
C 2.307068 3.010060 -0.057665
C 2.033300 1.270582 1.759780
C -3.085085 -0.344173 -0.106227
C 2.994492 -3.086267 -0.604211
C 3.773025 3.426869 0.042317
C 0.634971 1.510203 2.324090
C -3.671458 -0.502680 1.158435
C -3.577748 0.637872 -0.980182
C -4.741573 0.310958 1.541476
C -4.646597 1.448807 -0.591712
C -5.231050 1.287678 0.669089
H 2.013272 -0.989600 0.789413
H 0.401066 -2.299403 -0.471781
H -0.507291 -0.145422 0.749492
H -0.591761 0.460244 -0.937043
H 3.941826 -1.190181 -0.994241
H 2.713854 -1.639678 -2.171342
H -1.934154 -2.169640 0.038864
H -2.032208 -1.508234 -1.591174
H 1.671646 3.639252 0.601789
H 1.943829 3.156857 -1.105731
H 2.776683 1.901423 2.300511
H 2.336595 0.208808 1.933947
H 4.173971 3.306553 1.053707
H 4.400769 2.830393 -0.633995
H 3.899130 4.477894 -0.243088
H 0.298773 2.542485 2.169042
H -0.116024 0.856719 1.842500
H 0.602784 1.311890 3.401145
H -3.297836 -1.261781 1.842066
H -3.126140 0.766493 -1.962784
H -5.195831 0.181522 2.522365
H -5.026490 2.207820 -1.273884
H -6.064665 1.918833 0.968349
H 4.183121 -4.659704 -0.835287


%chk=000206737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206737

0 1
O 1.833632 1.004045 -1.780025
O 4.124273 -3.652653 -0.960297
O 2.044695 -3.733340 0.054573
N 0.464843 -1.308288 -0.560130
N 2.239736 1.642002 0.413450
C 1.785088 -0.800773 -0.128096
C 1.946468 0.685108 -0.553102
C -0.716433 -0.558430 -0.096811
C 2.901243 -1.587095 -0.860264
C -2.005811 -1.176236 -0.695183
C 2.362499 3.052988 -0.043233
C 2.483884 1.398815 1.856957
C -3.246575 -0.388881 -0.303029
C 2.931946 -3.061976 -0.526184
C 3.802065 3.414106 -0.465992
C 1.217402 1.530940 2.729880
C -4.048170 -0.779206 0.800304
C -3.605331 0.785771 -1.015190
C -5.176851 -0.018728 1.184170
C -4.731984 1.549099 -0.636562
C -5.522425 1.149666 0.466806
H 1.929795 -0.908437 0.971904
H 0.398214 -2.313971 -0.344257
H -0.818100 -0.526157 1.018775
H -0.629467 0.488271 -0.444190
H 3.899808 -1.162879 -0.649398
H 2.728594 -1.469390 -1.947704
H -2.094918 -2.226017 -0.351266
H -1.880797 -1.200824 -1.793347
H 2.020730 3.706823 0.780840
H 1.682211 3.186538 -0.900521
H 3.238571 2.138291 2.186668
H 2.945068 0.406960 2.001058
H 4.520225 3.261032 0.361085
H 4.111188 2.791800 -1.322633
H 3.856425 4.475105 -0.771755
H 0.745521 2.521097 2.597836
H 0.470637 0.762383 2.464560
H 1.474035 1.413084 3.798981
H -3.789393 -1.688844 1.357248
H -3.000184 1.097145 -1.876116
H -5.787082 -0.338817 2.036754
H -4.996940 2.449689 -1.202556
H -6.399092 1.738416 0.760024
H 4.099456 -4.628229 -0.760130


