%chk=000219062.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219062

0 1
O 2.372657 2.109395 -1.223677
O -2.388015 2.065715 1.287688
N 2.397176 -0.488438 -1.465313
N -2.354546 -0.534085 1.547372
N -0.697882 5.727757 0.364502
N 6.624867 -4.678217 0.557016
N -6.595037 -4.626066 -0.650300
C 0.634014 0.769712 -0.321260
C -0.623316 0.757282 0.386368
C 1.247842 -0.444996 -0.688306
C -1.214773 -0.465594 0.752234
C 3.234395 -1.702757 -1.587068
C -3.197086 -1.749610 1.616313
C 1.285182 2.039502 -0.654352
C -1.298797 2.020635 0.718319
C 4.126563 -1.917988 -0.351897
C -4.085620 -1.914997 0.370909
C 0.598992 3.323459 -0.290739
C 0.610048 -1.692476 -0.313908
C -0.560632 -1.701972 0.368292
C -0.641490 3.303299 0.352879
C 5.001222 -3.163034 -0.520371
C -4.966348 -3.161535 0.489373
C 5.876276 -3.397102 0.722799
C -5.840474 -3.342583 -0.763188
C 1.191362 4.552022 -0.604529
C -1.261792 4.533340 0.665049
C 0.511132 5.730855 -0.259816
H 3.859517 -1.580542 -2.502400
H 2.594926 -2.597384 -1.766112
H -2.561067 -2.652273 1.763551
H -3.825008 -1.660200 2.533551
H 2.899455 0.405266 -1.636896
H -2.868358 0.353598 1.721133
H 3.497569 -2.010693 0.556041
H 4.759146 -1.024130 -0.181786
H -3.453761 -1.976353 -0.537567
H -4.713886 -1.012572 0.232236
H 1.092165 -2.631009 -0.601687
H -1.031037 -2.648429 0.650882
H 5.638439 -3.067510 -1.420600
H 4.372614 -4.061305 -0.693925
H -5.604560 -3.097794 1.391733
H -4.342096 -4.068648 0.628844
H 5.231796 -3.496477 1.625513
H 6.536070 -2.519921 0.897051
H -5.195174 -3.408904 -1.668336
H -6.496255 -2.456294 -0.903361
H 2.160932 4.576950 -1.107745
H -2.239400 4.550724 1.171803
H 0.932832 6.718838 -0.483799
H 7.269087 -4.620329 -0.225525
H 7.179749 -4.872303 1.385058
H -7.233492 -4.600180 0.138707
H -7.157122 -4.778852 -1.482151


%chk=000219062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219062

0 1
O 2.563107 2.350798 -1.041566
O -2.560163 2.334440 1.103342
N 2.601076 -0.216979 -1.085618
N -2.595951 -0.232316 1.117078
N -0.690338 6.019394 0.340924
N 6.410014 -5.136724 0.141910
N -6.373112 -5.153438 -0.201847
C 0.670976 1.042333 -0.256813
C -0.666460 1.039072 0.304856
C 1.339536 -0.208256 -0.543434
C -1.333398 -0.214168 0.576614
C 3.383542 -1.413183 -1.416588
C -3.378056 -1.433906 1.428451
C 1.359878 2.299812 -0.539237
C -1.357063 2.295959 0.600566
C 4.103601 -2.051970 -0.200268
C -4.087825 -2.060122 0.199605
C 0.656614 3.569057 -0.238792
C 0.642949 -1.438283 -0.255744
C -0.634615 -1.440692 0.276280
C -0.654752 3.565743 0.313445
C 4.925263 -3.293797 -0.608276
C -4.906768 -3.310852 0.585415
C 5.662664 -3.941672 0.582363
C -5.628659 -3.948475 -0.620088
C 1.277952 4.817910 -0.494409
C -1.277683 4.816994 0.582401
C 0.577663 6.000077 -0.194191
H 4.141206 -1.110904 -2.163106
H 2.741544 -2.169637 -1.910651
H -2.738533 -2.195032 1.918821
H -4.141667 -1.141613 2.172874
H 2.986852 0.747112 -1.230935
H -2.983097 0.729520 1.273508
H 3.355417 -2.332031 0.567790
H 4.761574 -1.291652 0.264571
H -3.333626 -2.327226 -0.567264
H -4.745807 -1.296520 -0.259757
H 1.132081 -2.394001 -0.463831
H -1.123020 -2.398723 0.475452
H 5.668075 -3.006888 -1.383273
H 4.271932 -4.062065 -1.066155
H -5.658611 -3.036963 1.356346
H -4.253642 -4.080871 1.040729
H 4.915892 -4.264699 1.333361
H 6.296840 -3.163650 1.076063
H -4.872517 -4.257811 -1.367543
H -6.262619 -3.168216 -1.110453
H 2.285462 4.834802 -0.918323
H -2.285684 4.829653 1.007421
H 1.025155 6.982805 -0.378682
H 7.145021 -4.935524 -0.544069
H 6.752777 -5.729634 0.903674
H -7.115087 -4.965020 0.480322
H -6.706911 -5.737171 -0.974667


