%chk=000188239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188239

0 1
O -3.023455 -0.135156 -1.481801
O 3.755115 -1.740825 0.991193
O 5.135416 0.179667 -0.748917
N -1.089714 1.845476 -0.302796
C -2.717813 -0.361250 -0.090923
C -3.190998 0.885023 0.730764
C -0.427011 0.724635 0.446298
C -1.195448 -0.560238 0.073437
C -2.426837 2.160673 0.298581
C -3.543013 -1.615147 0.267382
C -0.230782 3.065895 -0.387670
C -4.706504 1.121431 0.587394
C 1.050340 0.586357 0.120007
C -3.042394 -2.997557 -0.213065
C 1.000980 2.713355 -1.235122
C 1.735336 1.537151 -0.660843
C -5.219535 2.267485 1.455435
C 1.748419 -0.512803 0.641123
C -2.467113 -2.961803 -1.630343
C -2.052791 -3.626747 0.778197
C 3.107551 1.393113 -0.910026
C 3.113013 -0.665244 0.383622
C 3.800374 0.297624 -0.387330
C 4.257679 -2.723835 0.043531
C 6.058557 0.127339 0.373798
H -2.961422 0.680115 1.803494
H -0.497389 0.887063 1.558607
H -0.806681 -0.969200 -0.886665
H -0.993083 -1.346672 0.830452
H -2.998321 2.693297 -0.496174
H -2.361302 2.850968 1.165892
H -3.688149 -1.650618 1.363187
H -4.552052 -1.463863 -0.178504
H 0.083484 3.452896 0.605547
H -0.811625 3.872538 -0.884536
H -5.256284 0.196411 0.853469
H -4.946376 1.304768 -0.480912
H -3.949261 -3.660042 -0.237213
H 1.660545 3.597907 -1.325221
H 0.680400 2.459286 -2.271256
H -2.461850 0.592952 -1.838384
H -4.944182 2.134289 2.507539
H -4.828121 3.237803 1.132046
H -6.313402 2.331140 1.409686
H 1.246870 -1.264179 1.250675
H -3.083427 -2.323406 -2.282361
H -1.459547 -2.528134 -1.655048
H -2.415605 -3.959574 -2.071906
H -1.190658 -2.969901 0.962397
H -2.525202 -3.828668 1.744125
H -1.662984 -4.576213 0.396262
H 3.650844 2.121458 -1.510407
H 4.925334 -2.249196 -0.684404
H 3.414669 -3.212851 -0.451757
H 4.796592 -3.419920 0.694249
H 7.007745 -0.109022 -0.118068
H 5.765523 -0.652639 1.086385
H 6.091147 1.109387 0.853079


%chk=000188239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188239

0 1
O -2.734815 0.005675 -1.459043
O 3.890614 -1.664215 1.147726
O 5.206161 0.132595 -0.763936
N -1.105101 1.788093 -0.262140
C -2.678747 -0.357604 -0.021374
C -3.195796 0.867550 0.824195
C -0.401577 0.745512 0.547802
C -1.191837 -0.595751 0.379520
C -2.398795 2.140441 0.395022
C -3.585682 -1.599541 0.158488
C -0.279972 2.982825 -0.555681
C -4.717628 1.128349 0.713069
C 1.074952 0.598976 0.176843
C -3.162173 -3.001250 -0.385015
C 0.922628 2.579021 -1.421826
C 1.711721 1.462357 -0.755316
C -5.199929 2.339748 1.543602
C 1.830977 -0.432163 0.787082
C -2.781799 -3.007478 -1.885180
C -2.092625 -3.734902 0.466450
C 3.087839 1.284169 -1.036001
C 3.193305 -0.620862 0.489733
C 3.839523 0.266303 -0.419364
C 4.394476 -2.723885 0.242133
C 6.148286 0.327960 0.362836
H -2.964253 0.644503 1.888984
H -0.441648 1.048369 1.626868
H -0.715146 -1.199116 -0.412359
H -1.139099 -1.168742 1.323096
H -2.991321 2.721848 -0.336422
H -2.222127 2.793448 1.283188
H -3.805516 -1.711572 1.241795
H -4.542114 -1.341831 -0.335781
H 0.073668 3.471709 0.385745
H -0.915564 3.713067 -1.090043
H -5.271182 0.233766 1.053860
H -4.968204 1.269980 -0.357076
H -4.088794 -3.610275 -0.289091
H 1.572991 3.456233 -1.598942
H 0.551013 2.244245 -2.410538
H -2.042265 0.741850 -1.524600
H -4.954103 2.210557 2.615387
H -4.739697 3.286485 1.206040
H -6.296013 2.459188 1.462522
H 1.367576 -1.123889 1.499037
H -3.567220 -2.529986 -2.496631
H -1.853524 -2.441219 -2.069664
H -2.637864 -4.046996 -2.239206
H -1.084925 -3.306434 0.330315
H -2.339097 -3.698620 1.545327
H -2.038444 -4.799749 0.169814
H 3.604773 1.950478 -1.735786
H 5.060170 -2.299388 -0.531136
H 3.546124 -3.246278 -0.239593
H 4.947556 -3.423365 0.887460
H 7.148953 0.142441 -0.056555
H 5.933751 -0.377943 1.185222
H 6.083139 1.368110 0.735338


