%chk=000116462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116462

0 1
S 1.218678 -0.066310 -1.203611
S -4.790734 1.173547 0.297024
O -1.182234 -0.211267 -0.272643
O 3.693886 -0.175460 -0.177183
O -1.216251 -2.379434 0.639900
O 3.714956 1.717201 1.120770
N 0.658855 -1.467952 -0.434063
N 1.812461 1.073963 -0.095568
N -2.500846 -0.084090 0.222190
C 1.583730 -2.567629 -0.092316
C 0.892760 2.023888 0.564894
C -0.655874 -1.482040 0.073346
C 3.129301 0.963890 0.375118
C -3.146048 0.908016 -0.302927
C -2.743088 1.892691 -1.336415
C 5.112629 -0.346445 0.102864
C -5.096748 -0.152555 1.474430
H 1.211619 -3.154764 0.767737
H 1.684996 -3.251963 -0.954101
H 2.585904 -2.171168 0.160037
H -0.038988 1.518405 0.882343
H 0.631060 2.836623 -0.135507
H 1.360969 2.482907 1.456677
H -2.756281 2.924971 -0.952740
H -1.720966 1.693160 -1.706079
H -3.410689 1.862798 -2.213557
H 5.326936 -1.310285 -0.370774
H 5.279758 -0.369368 1.184718
H 5.677159 0.469030 -0.360246
H -6.133606 -0.065030 1.822735
H -4.958078 -1.146281 1.022328
H -4.423326 -0.097352 2.341118


%chk=000116462-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116462

0 1
S 1.295476 -0.088069 -1.393586
S -5.130544 1.093127 0.238766
O -1.358666 -0.180606 -0.237484
O 3.950990 -0.211113 -0.204351
O -1.194467 -2.334206 0.771968
O 3.866227 1.772906 1.039500
N 0.609303 -1.391758 -0.368210
N 2.016887 1.073026 -0.227293
N -2.784143 -0.202228 0.229205
C 1.457338 -2.557508 -0.012234
C 1.160706 2.165713 0.288211
C -0.703207 -1.392580 0.119105
C 3.319016 0.945547 0.265217
C -3.381258 0.880094 -0.219417
C -2.800015 1.990348 -1.060002
C 5.359034 -0.351957 0.234124
C -5.428302 -0.438915 1.295065
H 1.452907 -2.710135 1.080701
H 1.073466 -3.475191 -0.491406
H 2.481604 -2.348549 -0.352107
H 0.351329 1.757259 0.918050
H 0.717653 2.722496 -0.554491
H 1.790555 2.841891 0.886831
H -2.172057 2.650333 -0.433029
H -2.151638 1.568085 -1.846077
H -3.593535 2.599895 -1.521532
H 5.695098 -1.297003 -0.215540
H 5.417208 -0.390381 1.334682
H 5.961516 0.496198 -0.131685
H -6.479068 -0.374181 1.615923
H -5.250175 -1.341389 0.694122
H -4.747339 -0.429452 2.157476


