%chk=000185093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185093

0 1
O 0.274217 -2.772849 0.056094
O -5.393647 0.141884 0.023998
O 2.638506 -2.982298 0.072946
N 1.143336 3.141507 -0.533833
C -1.163318 0.207778 -0.001086
C -0.993560 1.743613 -0.281054
C 0.404111 2.123752 0.270860
C 0.274025 -0.275894 0.124373
C -1.864328 -0.516666 -1.168539
C -1.911085 -0.055952 1.324957
C 1.172500 0.826204 0.192990
C -3.344654 -0.144274 -1.270944
C -3.395358 0.301576 1.238006
C -4.061550 -0.420332 0.059885
C 2.549609 0.728821 0.093448
C 0.862368 -1.512331 0.103279
C 3.355824 1.979679 -0.104483
C 2.537942 3.289525 0.000714
C 2.291373 -1.635560 0.098145
C 3.151972 -0.561895 0.071738
C 1.381011 -3.731508 0.046411
H -1.797699 2.331139 0.181902
H -1.041249 1.943098 -1.367033
H 0.303657 2.431240 1.345999
H -1.754705 -1.613065 -1.029670
H -1.347790 -0.286626 -2.120309
H -1.434647 0.512640 2.145518
H -1.795886 -1.125454 1.595550
H -3.456786 0.926988 -1.531925
H -3.821522 -0.706751 -2.093364
H -3.917210 0.040110 2.178343
H -3.535968 1.395063 1.120153
H -4.159219 -1.511238 0.248429
H 0.660761 4.045042 -0.495844
H 4.199198 2.019809 0.612611
H 3.812676 1.925012 -1.118825
H 2.550646 3.638100 1.057012
H 3.038587 4.074291 -0.608246
H 4.227839 -0.687141 0.021121
H -5.904662 -0.221306 -0.718624
H 1.339033 -4.284338 -0.901020
H 1.323254 -4.323692 0.968917


%chk=000185093-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185093

0 1
O 0.294629 -2.820268 -0.129819
O -5.503468 0.109645 0.122342
O 2.678672 -3.028021 -0.124924
N 1.190624 3.194987 -0.447304
C -1.152923 0.195547 -0.083660
C -0.950357 1.722310 -0.449881
C 0.402019 2.121476 0.199685
C 0.301184 -0.274347 0.023276
C -1.936534 -0.575948 -1.183716
C -1.884107 0.010734 1.288810
C 1.187171 0.829170 0.121211
C -3.422509 -0.148570 -1.244069
C -3.382689 0.391365 1.234198
C -4.108038 -0.373499 0.118667
C 2.587203 0.740565 0.058465
C 0.900163 -1.532397 -0.008085
C 3.387121 2.033288 -0.071427
C 2.525316 3.292948 0.211933
C 2.311532 -1.654612 -0.009820
C 3.178640 -0.557361 -0.007404
C 1.415559 -3.771606 0.090802
H -1.791092 2.355036 -0.115905
H -0.848241 1.825013 -1.547608
H 0.221138 2.362987 1.282382
H -1.873959 -1.662415 -0.973482
H -1.453103 -0.413638 -2.165843
H -1.373253 0.607597 2.068696
H -1.786151 -1.051852 1.590112
H -3.512476 0.922647 -1.511686
H -3.944940 -0.727006 -2.033896
H -3.869086 0.175441 2.203360
H -3.511496 1.474664 1.045063
H -4.088119 -1.464265 0.348818
H 0.698708 4.100020 -0.438247
H 4.262723 2.034425 0.607362
H 3.781494 2.094713 -1.105185
H 2.425314 3.412620 1.320834
H 3.045688 4.187801 -0.173974
H 4.261587 -0.697995 -0.072269
H -5.992466 -0.327146 -0.621055
H 1.346301 -4.584898 -0.646669
H 1.379824 -4.131453 1.138512


