%chk=000125871.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125871

0 1
 S  -0.9147000      0.6667000       1.500800    
 S   0.4585000      -2.028800       1.406200    
 O   -4.291000       2.580800      -1.137700    
 O   -4.757300     -0.9060000     -0.2229000    
 O   -2.344800      -2.258400      -2.045000    
 O    5.137800      0.7765000       1.207300    
 O   -1.622900      -3.568200     -0.3147000    
 N   -2.520500     -0.1658000     -0.4044000    
 N    4.208700      -1.551400      0.3348000    
 N    4.619400       1.879300     -0.7721000    
 C   -3.631200       1.196000      0.7060000    
 C   -2.167100       1.108600      0.2409000    
 C   -3.844100     -0.1264000     -6.9600001E-02
 C   -4.513100       2.336800      0.2507000    
 C    1.802500      -1.670200      0.2450000    
 C   -1.663600      -1.199400     -0.1194000    
 C    2.259600     -0.2233000      0.3104000    
 C    3.660800     -0.3244000     -0.2586000    
 C  -0.7370000     -0.9401000      0.8190000    
 C    3.071700      -2.474800      0.5173000    
 C   -4.215500       3.608800       1.034800    
 C    4.537300      0.8180000      0.1302000    
 C   -1.862000      -2.478500     -0.8039000    
 C    5.438500       3.057400     -0.5174000    
 C    3.890100       1.886800      -2.037700    
 H   -3.768600       1.025300       1.784700    
 H   -1.837200       1.859600     -0.4841000    
 H   -5.571100       2.083200      0.3838000    
 H    1.456200      -1.894200     -0.7726000    
 H    2.286900      0.1631000       1.337900    
 H    1.630400      0.4402000     -0.2904000    
 H    3.644800     -0.4827000      -1.341000    
 H    3.110400      -2.891300       1.530200    
 H    3.158000      -3.310000     -0.1864000    
 H    4.583600      -1.339900       1.260900    
 H   -3.176100       3.924000      0.8902000    
 H   -4.847900       4.431200      0.6843000    
 H   -4.384600       3.464300       2.106300    
 H   -4.634500       1.816800      -1.631200    
 H    5.979900       2.961900      0.4272000    
 H    4.789200       3.936300     -0.4687000    
 H    6.158100       3.171000      -1.333300    
 H    4.433200       1.263700      -2.754000    
 H    3.823900       2.907300      -2.427500    
 H    2.874500       1.507100      -1.913400    
 H   -2.491500      -3.094200      -2.537100    


%chk=000125871-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125871

0 1
S -0.878169 0.576122 -0.729433
S 0.625787 -2.118138 0.033701
O -5.675511 1.218525 -0.873894
O -4.144400 0.284863 2.487406
O -3.698096 -2.981981 1.461414
O 6.026964 -0.318232 -0.102041
O -1.474380 -3.695259 1.357767
N -3.079941 -0.488068 0.409934
N 4.070135 -1.067745 -1.828186
N 5.223228 1.831130 0.283703
C -3.535725 1.607569 0.323638
C -2.816996 0.566761 -0.591376
C -3.681412 0.423752 1.346112
C -4.834842 2.238824 -0.221565
C 1.839104 -1.092141 -1.019064
C -2.086464 -1.511347 0.525549
C 2.584342 0.011291 -0.239814
C 3.865974 0.221180 -1.113393
C -0.857481 -1.115548 0.001757
C 2.980541 -2.022569 -1.493671
C -4.570603 3.308292 -1.287035
C 5.120988 0.564048 -0.268572
C -2.345226 -2.809323 1.136188
C 6.389383 2.152374 1.128445
C 4.221622 2.899988 0.147297
H -2.865305 2.385914 0.726816
H -3.226411 0.394415 -1.595485
H -5.376470 2.687094 0.639426
H 1.275834 -0.687472 -1.877024
H 2.862384 -0.371157 0.760004
H 1.984138 0.926398 -0.109958
H 3.688858 1.033361 -1.848269
H 3.256993 -2.729069 -0.676280
H 2.676193 -2.618047 -2.371954
H 5.015472 -1.433692 -1.638760
H -4.028898 2.875899 -2.146986
H -5.528506 3.709808 -1.656801
H -3.974021 4.139815 -0.871370
H -5.961124 0.540823 -0.207995
H 7.031346 1.260953 1.185911
H 6.063352 2.437506 2.146900
H 6.964112 2.990991 0.691386
H 4.735056 3.861112 -0.041419
H 3.617559 3.009075 1.070051
H 3.541900 2.708951 -0.695538
H -3.803588 -3.864345 1.908277


