%chk=000191308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191308

0 1
S -1.764601 -0.787515 2.248330
S 0.106170 -0.128033 -1.797686
S -2.592610 4.683207 -0.707036
O 6.397894 0.093191 0.272125
O 5.453542 -0.193504 2.196282
N -1.247591 -0.361262 -0.777204
N 5.416789 -0.058326 0.983533
C -1.694605 0.773381 -0.023716
C -1.499555 -1.704061 -0.339119
C -2.013904 0.685870 1.339629
C -1.795318 -2.013340 0.998427
C -1.864221 1.998849 -0.701615
C -1.497113 -2.733312 -1.301382
C -2.511359 1.795558 2.031098
C -2.341196 3.099128 0.005009
C -2.091365 -3.322345 1.383466
C -2.668219 3.011162 1.368062
C -1.778492 -4.042379 -0.908679
C 1.612834 -0.121171 -0.897777
C -2.073681 -4.340637 0.427215
C 2.764624 0.048065 -1.682446
C 1.690313 -0.269078 0.487912
C 4.012885 0.069262 -1.066175
C 2.939501 -0.248772 1.110657
C 4.094013 -0.079866 0.330150
C -2.076005 4.554257 -2.428038
H -1.628888 2.065796 -1.764138
H -1.281945 -2.512943 -2.347958
H -2.772889 1.715033 3.088943
H -2.332867 -3.552995 2.422988
H -3.045524 3.880112 1.909717
H -1.771993 -4.839611 -1.652880
H -2.294113 -5.366075 0.720778
H 2.697058 0.162132 -2.765768
H 0.793273 -0.400506 1.098734
H 4.929931 0.199679 -1.651634
H 3.027146 -0.362668 2.197401
H -2.686727 3.842147 -2.995420
H -1.019101 4.279948 -2.527915
H -2.209693 5.548224 -2.881170


%chk=000191308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191308

0 1
S -1.601500 -0.797370 2.427921
S 0.153697 -0.067835 -1.851444
S -2.839959 4.686754 -0.808389
O 6.639689 0.109174 0.193027
O 5.647250 -0.255729 2.215891
N -1.007314 -0.338344 -0.524937
N 5.597986 -0.073779 0.937306
C -1.631724 0.796084 0.101533
C -1.443671 -1.681198 -0.244460
C -2.030266 0.702507 1.458442
C -1.817262 -2.029482 1.081004
C -1.885377 1.989933 -0.617137
C -1.528567 -2.666129 -1.258832
C -2.685725 1.786102 2.080565
C -2.499985 3.089219 0.020807
C -2.279919 -3.326557 1.383449
C -2.909726 2.984253 1.375677
C -1.954110 -3.975251 -0.948338
C 1.767331 -0.077662 -0.944344
C -2.336742 -4.309851 0.370559
C 2.931570 0.116818 -1.730072
C 1.852023 -0.270383 0.452531
C 4.195167 0.118937 -1.113317
C 3.115198 -0.269212 1.073838
C 4.270891 -0.074777 0.285033
C -2.097881 4.431242 -2.511597
H -1.584389 2.037713 -1.666690
H -1.245100 -2.405212 -2.282960
H -3.003216 1.698883 3.124716
H -2.577506 -3.566154 2.409680
H -3.396576 3.828742 1.874035
H -1.998021 -4.728672 -1.741829
H -2.677080 -5.322058 0.610714
H 2.858303 0.264070 -2.813485
H 0.945714 -0.419981 1.049318
H 5.113247 0.265465 -1.687914
H 3.217444 -0.415341 2.152340
H -2.619707 3.624817 -3.050399
H -1.019032 4.222802 -2.438821
H -2.252759 5.384067 -3.040721


