%chk=000181961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181961

0 1
S -3.914005 -0.143062 0.096113
O 0.203499 1.516782 0.918371
O 4.180336 1.670052 0.358777
O 3.029108 1.072627 -1.465875
O -4.291941 0.062390 -1.290932
O -3.782813 -1.506842 0.582206
N 1.202060 -0.398667 0.263092
C 2.532164 0.027216 0.751961
C 3.335743 -1.280331 0.902919
C 1.258867 -1.753791 -0.356141
C 2.667893 -2.296302 -0.042884
C -1.227841 -0.075221 -0.250213
C 0.087540 0.439542 0.352764
C -2.387614 0.683263 0.404397
C 3.204250 0.938620 -0.282308
C -1.186891 0.136194 -1.762470
C -5.058971 0.704562 1.115905
H 2.430859 0.597999 1.715686
H 3.291604 -1.629542 1.951759
H 4.406097 -1.141023 0.670752
H 1.084887 -1.681634 -1.452306
H 0.464050 -2.398131 0.076573
H 3.255575 -2.408259 -0.972744
H 2.618688 -3.297256 0.418669
H -1.335699 -1.171961 -0.022580
H -2.184306 0.804761 1.490210
H -2.384179 1.733169 0.036539
H -0.963126 1.178560 -2.027989
H -0.429231 -0.490390 -2.247511
H -2.158437 -0.101254 -2.232309
H -6.100750 0.518409 0.805868
H -5.017604 0.391168 2.168132
H -4.955495 1.795650 1.104870
H 4.649985 2.303104 -0.245998


%chk=000181961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181961

0 1
S -3.943035 -0.115842 0.022861
O 0.340046 1.717503 0.631156
O 4.256646 1.631806 0.404930
O 3.075213 0.909481 -1.463261
O -4.589441 0.276072 -1.430168
O -3.625244 -1.680907 0.402833
N 1.203627 -0.400727 0.281788
C 2.523801 0.011395 0.796979
C 3.255494 -1.343837 1.023562
C 1.172430 -1.827524 -0.147677
C 2.658280 -2.257933 -0.076854
C -1.153365 0.049910 -0.385820
C 0.179189 0.520263 0.218622
C -2.277698 0.865545 0.267690
C 3.261943 0.881225 -0.229971
C -1.139707 0.232808 -1.929845
C -5.110337 0.576257 1.375811
H 2.419487 0.605483 1.719195
H 2.997699 -1.722052 2.029043
H 4.351111 -1.243917 0.964516
H 0.760835 -1.929473 -1.165837
H 0.544597 -2.423888 0.543115
H 3.152646 -2.061807 -1.044261
H 2.765651 -3.330018 0.155849
H -1.323527 -1.018928 -0.142726
H -2.167197 0.956704 1.359940
H -2.461345 1.843003 -0.201626
H -0.927328 1.286332 -2.184193
H -0.362233 -0.391233 -2.402912
H -2.120639 -0.041161 -2.356370
H -6.062453 0.052598 1.213112
H -4.664237 0.330222 2.349141
H -5.203394 1.657710 1.203570
H 4.736784 2.185331 -0.268889


