%chk=000240658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240658

0 1
O -2.212492 -1.554319 -0.503766
O 0.725727 2.061566 0.464646
O -2.496772 3.472825 -0.579965
O -4.127046 -0.629674 0.256353
N 0.229531 -0.181402 0.331226
C -1.614706 1.466620 0.396294
C -2.368153 0.769265 -0.741102
C -0.106392 1.176394 0.383048
C -1.867148 2.996954 0.332492
C -3.051547 -0.483780 -0.265425
C -1.323997 3.789281 1.470652
C 1.560149 -0.719044 0.336064
C 1.676836 -2.120520 0.214612
C 2.706475 0.080959 0.468456
C -2.668577 -2.892566 -0.096139
C 2.941949 -2.705687 0.232193
C 3.963524 -0.527087 0.482741
C 4.088425 -1.914723 0.366877
C -1.552869 -3.806820 -0.549155
H -2.017021 1.123764 1.388213
H -3.146712 1.462080 -1.164641
H -1.698337 0.558656 -1.604565
H -0.522369 -0.881139 0.196502
H -1.637712 4.843092 1.412531
H -1.621619 3.405410 2.452824
H -0.213212 3.784767 1.447383
H 0.786379 -2.746840 0.103462
H 2.620142 1.168949 0.555468
H -2.813421 -2.873447 0.997551
H -3.632345 -3.084719 -0.599393
H 3.037130 -3.787164 0.139277
H 4.855109 0.092450 0.584957
H 5.072173 -2.377783 0.379688
H -0.572226 -3.485945 -0.150235
H -1.456497 -3.816436 -1.644306
H -1.726478 -4.839038 -0.219416


%chk=000240658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240658

0 1
O -2.272926 -1.327699 -0.318741
O 0.702892 2.159699 0.028285
O -3.025976 3.290719 0.371248
O -2.994929 -0.839865 -2.478179
N 0.366926 -0.150519 0.328305
C -1.600261 1.308812 0.323094
C -2.283844 1.015262 -1.035525
C -0.061551 1.166373 0.223295
C -2.033597 2.696428 0.867827
C -2.548410 -0.436953 -1.384681
C -1.265928 3.262507 2.044114
C 1.692126 -0.666506 0.240250
C 1.847087 -2.075489 0.352500
C 2.837550 0.153727 0.055470
C -2.622476 -2.765374 -0.573044
C 3.127137 -2.659646 0.282090
C 4.113231 -0.447578 -0.012427
C 4.271222 -1.847793 0.099209
C -2.401159 -3.521316 0.732945
H -1.974568 0.575548 1.068188
H -3.258865 1.544706 -1.042175
H -1.711656 1.461475 -1.869518
H -0.389305 -0.845411 0.398066
H -1.850640 4.059922 2.527741
H -1.002667 2.477857 2.777048
H -0.312168 3.677703 1.668039
H 0.963674 -2.711453 0.496473
H 2.714623 1.234211 -0.035251
H -3.672469 -2.803310 -0.911276
H -1.982879 -3.131983 -1.395669
H 3.231203 -3.746747 0.369836
H 4.992373 0.190492 -0.156102
H 5.266947 -2.300118 0.043919
H -3.034949 -3.114371 1.539136
H -1.346617 -3.472921 1.058636
H -2.663250 -4.585490 0.592272


