%chk=000291306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291306

0 1
O 0.454345 -1.364603 -0.293387
N -1.582312 -0.090084 -0.092631
N 3.148830 -1.647883 0.071268
C -3.066188 -0.061337 -0.375592
C -3.692240 -1.362766 0.179757
C -3.718024 1.156845 0.316580
C -5.211086 -1.372265 -0.027413
C -5.238913 1.150810 0.112702
C -5.869594 -0.150128 0.625382
C -0.887316 1.202495 -0.401964
C -0.906676 -1.213066 -0.792895
C 0.604716 1.050017 -0.272731
C 1.180795 -0.209414 -0.198564
C 1.432199 2.202738 -0.184523
C 2.604408 -0.374364 -0.008238
C 3.401217 0.802067 0.088978
C 2.790178 2.087947 -0.012307
C 4.809874 0.632440 0.285076
C 5.338460 -0.629714 0.367982
C 4.460402 -1.758722 0.252416
H -3.262303 0.002313 -1.477350
H -3.451468 -1.450813 1.259245
H -3.244277 -2.252898 -0.300071
H -3.301817 2.103308 -0.072762
H -3.478934 1.135052 1.399208
H -5.637713 -2.301384 0.396217
H -5.446443 -1.394243 -1.108744
H -5.476807 1.286118 -0.959918
H -5.685944 2.017381 0.635865
H -6.956600 -0.150745 0.423449
H -5.761512 -0.210356 1.725900
H -1.238976 1.946256 0.353370
H -1.138145 1.604318 -1.409676
H -1.348678 -2.190439 -0.500757
H -0.825959 -1.105932 -1.893166
H 0.965980 3.185919 -0.251485
H 3.420082 2.972007 0.054800
H 5.439249 1.518057 0.366956
H 6.401928 -0.797825 0.518455
H 4.868758 -2.775007 0.313565


%chk=000291306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291306

0 1
O 0.448132 -1.402849 -0.430303
N -1.588255 -0.087237 -0.255960
N 3.144820 -1.667772 0.071559
C -3.078432 -0.095712 -0.409443
C -3.684548 -1.373171 0.231851
C -3.720708 1.156744 0.240349
C -5.226438 -1.405067 0.110003
C -5.264193 1.132809 0.124909
C -5.866012 -0.148929 0.742525
C -0.901057 1.207035 -0.472052
C -0.892114 -1.133412 -1.000862
C 0.607534 1.040243 -0.317551
C 1.195140 -0.237186 -0.252875
C 1.435703 2.197260 -0.184452
C 2.611496 -0.391433 -0.007754
C 3.418579 0.804655 0.138604
C 2.808175 2.095691 0.035123
C 4.819255 0.625868 0.382815
C 5.348608 -0.663242 0.467246
C 4.467575 -1.779863 0.302881
H -3.358488 -0.081351 -1.497650
H -3.385457 -1.388045 1.298271
H -3.269060 -2.288245 -0.229756
H -3.343805 2.081001 -0.236108
H -3.423753 1.187970 1.308581
H -5.615845 -2.321845 0.592500
H -5.513105 -1.462005 -0.960966
H -5.551837 1.190870 -0.945685
H -5.682848 2.032516 0.615606
H -6.964299 -0.162680 0.604067
H -5.676794 -0.153403 1.835658
H -1.245897 1.930421 0.286172
H -1.133704 1.650160 -1.477165
H -1.421469 -2.091433 -0.935781
H -0.726046 -0.859558 -2.073946
H 0.963779 3.186356 -0.243739
H 3.426702 2.994277 0.140039
H 5.458708 1.508756 0.500684
H 6.413812 -0.833381 0.653336
H 4.859641 -2.802713 0.362268


