%chk=000185623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185623

0 1
O -0.636072 -1.025323 -1.854033
O -3.437721 0.710196 -1.921066
O -5.078479 1.687897 -0.512791
O 4.722871 2.149562 0.073423
O 2.262626 3.178807 0.439030
N 0.392460 -2.678033 0.500591
C 0.138363 -1.206250 0.485956
C -0.631119 -0.828327 1.794472
C 1.404860 -0.376055 0.356340
C -0.823420 -0.779473 -0.692581
C 1.475606 -3.071971 -0.458058
C -1.880266 -0.120697 1.360840
C -1.980250 -0.093795 -0.073347
C 2.660142 -0.960386 0.143903
C 2.790198 -2.450984 0.032954
C -0.844739 -3.473012 0.230642
C 1.290789 1.027190 0.442716
C -3.078185 0.529419 -0.607216
C -2.835320 0.446607 2.181352
C 3.818295 -0.160897 0.040402
C -4.067002 1.119094 0.257483
C 2.427615 1.818506 0.337629
C -3.974614 1.093493 1.625900
C 3.704116 1.217872 0.139081
C -4.705557 1.457220 -1.906933
C 6.049414 1.661612 -0.240585
H -0.006366 -0.199498 2.458296
H -0.857610 -1.730120 2.399661
H 1.259927 -2.749115 -1.503058
H 1.556319 -4.179256 -0.463565
H 3.614936 -2.736604 -0.647939
H 3.051808 -2.865316 1.032490
H -1.671824 -3.125470 0.869155
H -0.643835 -4.521899 0.504853
H -1.186582 -3.448036 -0.817035
H 0.322690 1.510688 0.585547
H -2.731456 0.412264 3.263937
H 4.782989 -0.634251 -0.116072
H -4.729862 1.544847 2.264959
H -5.471881 0.818202 -2.365217
H -4.521910 2.431725 -2.379147
H 3.132491 3.649449 0.315275
H 6.051597 1.172084 -1.219028
H 6.402162 0.994823 0.551697
H 6.630898 2.592412 -0.262014


%chk=000185623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185623

0 1
O -0.645609 -1.006242 -1.861599
O -3.499676 0.605664 -1.973007
O -5.197768 1.599980 -0.592783
O 4.792122 2.190229 0.044298
O 2.386354 3.238524 0.609047
N 0.396880 -2.658453 0.482983
C 0.133501 -1.186424 0.532116
C -0.653247 -0.813962 1.840167
C 1.429124 -0.365746 0.405538
C -0.844425 -0.757571 -0.643070
C 1.449327 -3.066446 -0.485984
C -1.925546 -0.110576 1.392023
C -2.026782 -0.107393 -0.035992
C 2.679626 -0.958334 0.103723
C 2.796236 -2.462057 -0.069460
C -0.819136 -3.493953 0.333983
C 1.345323 1.044448 0.566974
C -3.155589 0.490228 -0.614177
C -2.921751 0.470026 2.197909
C 3.831989 -0.137553 -0.025233
C -4.147778 1.073872 0.204485
C 2.483060 1.850511 0.443283
C -4.064747 1.078950 1.600345
C 3.740199 1.252522 0.144645
C -4.742585 1.432350 -1.997259
C 6.123603 1.678911 -0.279357
H -0.041871 -0.172890 2.497754
H -0.874745 -1.731092 2.414054
H 1.189577 -2.765599 -1.525518
H 1.507474 -4.170703 -0.456330
H 3.566990 -2.704173 -0.826290
H 3.112179 -2.928284 0.885072
H -1.598883 -3.181822 1.049877
H -0.556162 -4.543475 0.558157
H -1.257743 -3.458691 -0.690256
H 0.392913 1.538109 0.785877
H -2.828619 0.461673 3.288642
H 4.791885 -0.609288 -0.262569
H -4.852178 1.536174 2.205219
H -5.514819 0.892215 -2.567067
H -4.499800 2.422410 -2.423788
H 3.288810 3.630506 0.468676
H 6.125761 1.178921 -1.266946
H 6.475645 0.972668 0.497030
H 6.779983 2.561039 -0.306289


