%chk=000054117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054117

0 1
 S   -5.059400     -0.8394000     -0.6526000    
 S    2.161400       4.642700      -1.105800    
 O   -2.462900      -2.772300     -0.4907000    
 O   -5.720900      -1.941900      0.3609000    
 O   -5.037700      -1.444600      -1.980700    
 O   -5.783100      0.4121000     -0.4518000    
 O   0.7310000      0.3439000       2.274700    
 O    2.498100      -1.090900      0.1689000    
 O    4.439700      -4.066000     -0.2458000    
 O    2.475300      -3.637900      0.7917000    
 N   -3.477600     -0.6595000     -0.1015000    
 N  -0.5016000     -0.1311000      0.3360000    
 N    2.605000      0.2414000     -0.2540000    
 N   0.5836000       3.175200      0.3224000    
 N  -4.0500000E-02   5.449100      0.1485000    
 C   -2.943400      7.9200000E-02   1.062800    
 C   -1.658900     -0.7719000      0.9683000    
 C   -2.488900      -1.663600     -9.1000004E-03
 C   -2.854500       1.563500      0.7511000    
 C   0.5630000      0.3541000       1.065900    
 C    1.629300      0.9704000      0.1977000    
 C    3.596800      -1.812500     -0.3662000    
 C    1.599700       2.394500     -0.1510000    
 C    4.879900      -1.191500      0.1779000    
 C    3.515600      -1.737400      -1.888000    
 C    2.548500       2.981000     -0.9332000    
 C    3.425300      -3.243700      0.1257000    
 C   0.7768000       4.397100     -0.1222000    
 H   -3.520800     -0.1193000       1.974800    
 H   -1.399400      -1.295000       1.895200    
 H   -2.397500       1.759900     -0.2248000    
 H   -3.849200       2.020700      0.7522000    
 H   -2.259500       2.077300       1.513400    
 H  -0.4695000     -3.1800002E-02 -0.6762000    
 H   -5.683900      -1.707100       1.317900    
 H    4.856000      -1.146700       1.273200    
 H    5.040200     -0.1684000     -0.1797000    
 H    5.759900      -1.776300     -0.1117000    
 H    3.674100     -0.7233000      -2.270900    
 H    4.266200      -2.382800      -2.357300    
 H    2.529900      -2.062500      -2.241400    
 H    3.424400       2.559100      -1.406200    
 H    4.307700      -4.981100      8.1900001E-02
 H  -0.8696000       5.347000      0.7244000    
 H   0.1451000       6.377900     -0.2156000    


%chk=000054117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054117

0 1
S -4.373000 -2.830369 0.744128
S 3.799089 5.051570 1.262360
O -1.600179 -1.751007 2.744704
O -5.206925 -2.398473 2.335380
O -3.786341 -4.321662 0.903010
O -5.322854 -2.442094 -0.497552
O -0.382423 2.413930 1.679795
O 1.767728 -0.438211 -0.300289
O 2.419562 -3.744546 -1.556485
O 0.479090 -2.559362 -1.097087
N -3.117150 -1.538612 0.831947
N -0.545016 0.421314 0.475240
N 2.391931 0.867039 -0.152493
N 1.470538 4.233978 0.185538
N 1.732101 6.613172 0.153922
C -2.979681 -0.327725 -0.074773
C -1.874087 0.148688 0.955044
C -2.085420 -1.198442 1.756436
C -2.541491 -0.639222 -1.502921
C 0.135523 1.558723 0.901425
C 1.565622 1.746529 0.400423
C 2.694799 -1.430191 -0.924722
C 2.165130 3.087509 0.608696
C 3.809522 -1.794987 0.072221
C 3.239813 -0.906320 -2.271568
C 3.408178 3.295814 1.183888
C 1.725041 -2.600018 -1.177312
C 2.149863 5.336584 0.442289
H -3.889647 0.293965 -0.047321
H -2.207112 1.003917 1.569471
H -1.682280 -1.331192 -1.522216
H -3.375781 -1.092557 -2.065158
H -2.252269 0.298488 -2.010965
H -0.018311 -0.294388 -0.046732
H -5.516953 -3.259998 2.742460
H 3.382955 -2.143726 1.027817
H 4.422786 -0.898361 0.263998
H 4.448921 -2.590956 -0.342394
H 3.846814 -0.005181 -2.088181
H 3.866129 -1.679787 -2.746200
H 2.415986 -0.641532 -2.956478
H 4.098628 2.560153 1.587151
H 1.778321 -4.485641 -1.733071
H 0.802003 6.732740 -0.241457
H 2.294544 7.428048 0.377131


