%chk=000284779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284779

0 1
S 3.465243 -1.155461 -0.622029
O 3.666024 1.366026 -1.333149
N -4.047267 -0.335330 0.499732
N -0.545218 -0.544422 -0.860569
C -6.462511 -0.647628 1.153929
C -7.392179 0.575910 -0.522258
C -5.389575 -0.727125 0.011540
C -7.769941 -0.684689 0.310493
C -6.015099 0.169329 -1.112926
C -6.519045 0.789679 1.742379
C -7.146991 1.628475 0.596546
C -2.983326 -0.474288 -0.539538
C -1.615943 -0.396013 0.171820
C 0.813730 -0.641424 -0.238181
C 1.821674 -0.901047 -1.354684
C 4.231947 0.467952 -0.774846
C 5.585411 0.472174 -0.183045
C 6.602159 1.171842 -0.855989
C 5.863990 -0.192618 1.019571
C 7.896060 1.190118 -0.332886
C 7.161768 -0.164514 1.539739
C 8.176176 0.520897 0.864206
H -6.345047 -1.431509 1.909836
H -8.124859 0.887131 -1.274510
H -5.321824 -1.783251 -0.347001
H -7.892537 -1.593609 -0.288487
H -8.680796 -0.562092 0.907481
H -6.131578 -0.393319 -2.049103
H -5.395575 1.044298 -1.347911
H -7.143501 0.813879 2.648263
H -5.527856 1.161320 2.038395
H -6.483862 2.438302 0.264104
H -8.089971 2.098644 0.911627
H -4.062543 0.626067 0.860253
H -3.053745 0.287558 -1.344011
H -3.078470 -1.466183 -1.037122
H -1.537717 -1.235582 0.900049
H -1.532189 0.540975 0.761659
H -0.571943 0.256922 -1.502020
H 1.093360 0.266922 0.340881
H 0.804145 -1.491572 0.482913
H 1.856528 -0.063032 -2.082636
H 1.560925 -1.814556 -1.928642
H 6.373431 1.699750 -1.784094
H 5.078231 -0.724646 1.560313
H 8.686342 1.727581 -0.855441
H 7.381177 -0.680122 2.473958
H 9.187186 0.536280 1.271488


%chk=000284779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284779

0 1
S 3.594551 -1.746093 -0.191605
O 3.350542 0.746547 -1.301597
N -4.089379 -0.499007 0.444007
N -0.492906 -1.055854 -0.570882
C -6.590834 -0.529419 0.884885
C -7.202220 1.080507 -0.619991
C -5.431595 -0.581568 -0.160544
C -7.810385 -0.229286 -0.032174
C -5.846188 0.563374 -1.185891
C -6.510802 0.786731 1.716707
C -6.916622 1.898750 0.676994
C -2.958347 -0.797504 -0.456129
C -1.637146 -0.821457 0.335209
C 0.827427 -1.132548 0.086677
C 1.850256 -1.698268 -0.913979
C 4.114627 -0.008535 -0.648896
C 5.482565 0.390820 -0.201116
C 5.961517 1.665698 -0.611369
C 6.305429 -0.438202 0.606381
C 7.244320 2.100115 -0.222990
C 7.588375 0.000821 0.993956
C 8.061234 1.268908 0.580448
H -6.644731 -1.441327 1.500573
H -7.822970 1.617656 -1.356456
H -5.479850 -1.562428 -0.673233
H -7.987727 -1.009522 -0.795302
H -8.745485 -0.059938 0.532010
H -5.963696 0.167896 -2.211900
H -5.081488 1.363634 -1.222655
H -7.231868 0.744570 2.553407
H -5.516870 0.954501 2.168453
H -6.118175 2.646908 0.518125
H -7.819768 2.444169 1.007287
H -3.946599 0.391826 0.940246
H -2.859599 -0.069985 -1.304757
H -3.119916 -1.792546 -0.910866
H -1.680379 -1.641544 1.075239
H -1.541890 0.133584 0.916177
H -0.483727 -0.380063 -1.348476
H 1.192660 -0.151250 0.472705
H 0.740949 -1.812059 0.955318
H 1.912137 -1.062515 -1.814302
H 1.605183 -2.732829 -1.199612
H 5.312993 2.292785 -1.231759
H 5.944853 -1.419130 0.934751
H 7.608858 3.081933 -0.543820
H 8.218501 -0.641907 1.617843
H 9.058584 1.607049 0.882996


