%chk=000213742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213742

0 1
O 0.969476 2.633005 -0.100995
O -3.557956 2.258711 -0.505122
O -3.754295 -2.835836 -0.941760
N 2.428597 0.238256 -0.046236
C -0.383552 0.671974 -0.713279
C 0.349946 1.453143 0.429222
C 1.439891 0.520746 1.041732
C 0.657149 0.261696 -1.786219
C -0.631324 1.992861 1.486384
C -1.424134 1.610330 -1.352273
C -1.004151 -0.600167 -0.146098
C 0.781775 -0.713511 1.690060
C 1.829888 -0.528271 -1.187087
C -0.422287 -1.252997 0.965612
C -1.697810 2.887381 0.855907
C -2.360423 2.232853 -0.336695
C 3.665567 -0.432054 0.471867
C -2.125096 -1.159895 -0.762692
C -0.982855 -2.447117 1.443812
C -2.659085 -2.357080 -0.262720
C -2.104502 -3.017520 0.840665
C 4.793950 -0.214706 -0.502271
C 5.795484 -1.077291 -0.656044
H 1.989512 1.096373 1.832720
H 1.039085 1.171646 -2.291020
H 0.168236 -0.344236 -2.572723
H -0.068154 2.574438 2.243449
H -1.114620 1.152427 2.022732
H -2.008751 1.086119 -2.135193
H -0.892283 2.440125 -1.871394
H 0.484266 -0.454314 2.729475
H 1.537740 -1.519179 1.799160
H 1.494401 -1.546782 -0.891439
H 2.620147 -0.663368 -1.958725
H -1.227841 3.838065 0.513979
H -2.460450 3.174394 1.606873
H 1.810929 2.405609 -0.568646
H 3.950688 0.038409 1.443314
H 3.515352 -1.514723 0.680688
H -2.609415 -0.684319 -1.617381
H -0.537495 -2.946791 2.304775
H -2.528961 -3.940497 1.219005
H 4.740400 0.722570 -1.062177
H -4.115310 -3.658820 -0.531750
H 6.619361 -0.908206 -1.334916
H 5.879607 -2.012450 -0.122878


%chk=000213742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213742

0 1
O 1.085830 2.581430 -0.129482
O -3.599400 2.279927 -0.592389
O -3.888222 -2.860740 -0.939425
N 2.434523 0.240253 0.017536
C -0.380556 0.642663 -0.695005
C 0.354378 1.438093 0.447629
C 1.414773 0.500361 1.086990
C 0.688384 0.203491 -1.753102
C -0.639233 2.014517 1.472056
C -1.380535 1.619495 -1.384010
C -1.044226 -0.624440 -0.116842
C 0.762677 -0.749600 1.730955
C 1.880018 -0.543033 -1.126296
C -0.445256 -1.308817 0.983913
C -1.693174 2.934723 0.799086
C -2.353825 2.265636 -0.403461
C 3.725562 -0.294286 0.525441
C -2.196995 -1.176487 -0.723775
C -1.017284 -2.522598 1.433401
C -2.747646 -2.390044 -0.263109
C -2.158549 -3.078836 0.822930
C 4.854792 -0.083612 -0.463969
C 5.717347 -1.048077 -0.869071
H 1.942638 1.073134 1.875200
H 1.056827 1.109026 -2.271446
H 0.207382 -0.442124 -2.511489
H -0.071420 2.594889 2.222499
H -1.157511 1.192261 1.998311
H -1.937901 1.144268 -2.207964
H -0.761820 2.434964 -1.810037
H 0.447523 -0.477290 2.759010
H 1.529260 -1.540331 1.860064
H 1.575852 -1.565634 -0.803702
H 2.682502 -0.664128 -1.875743
H -1.169563 3.838603 0.427843
H -2.471712 3.250357 1.514382
H 1.969059 2.175666 -0.393109
H 3.958500 0.255065 1.460438
H 3.663378 -1.377698 0.788638
H -2.704370 -0.677682 -1.553343
H -0.558270 -3.045706 2.281666
H -2.581558 -4.024288 1.186180
H 4.957546 0.944504 -0.841643
H -4.226917 -3.692582 -0.525033
H 6.538007 -0.830902 -1.561640
H 5.629880 -2.083390 -0.515386


