%chk=000084112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084112

0 1
 S    1.532700       1.992200      0.2549000    
 O    1.629900       3.208800     -0.5284000    
 O    1.738200       2.023700       1.690200    
 O    3.808800      -1.132900     -0.5672000    
 O    2.629500     -0.7104000       1.357800    
 O   -4.217400      -1.648100       1.279200    
 N    2.538900      0.7941000     -0.4319000    
 N   -3.830900     -0.3674000     -0.6621000    
 C  -6.5600000E-02   1.289000     -1.8700000E-02
 C  -0.6134000      0.4606000      0.9456000    
 C  -0.7403000       1.579800      -1.191900    
 C   -2.568900      0.1876000     -0.4466000    
 C   -1.874800     -9.4499998E-02  0.7298000    
 C   -2.001600       1.024800      -1.407500    
 C    2.972400     -0.3984000      0.2238000    
 C   -4.555100      -1.222000      0.1795000    
 C    4.299200      -2.349600      6.6999998E-03
 C    5.204800      -3.036400     -0.9933000    
 C   -5.886200      -1.600800     -0.4199000    
 H  -8.7800004E-02  0.2248000       1.865700    
 H  -0.3118000       2.223300      -1.954000    
 H   -2.247500     -0.7337000       1.518000    
 H   -2.530700       1.252000      -2.329500    
 H    2.910500      0.9780000      -1.372600    
 H   -4.271900     -0.1139000      -1.543800    
 H    4.860900      -2.122100      0.9196000    
 H    3.455100      -3.003700      0.2517000    
 H    5.598400      -3.972000     -0.5865000    
 H    4.661900      -3.253800      -1.919100    
 H    6.044400      -2.386900      -1.262400    
 H   -6.497100     -0.7044000     -0.5590000    
 H   -6.411300      -2.289000      0.2483000    
 H   -5.732500      -2.092100      -1.384800    


%chk=000084112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084112

0 1
S 1.570668 1.997502 0.066364
O 1.738131 3.172089 -1.043219
O 1.900401 2.252327 1.625935
O 4.066672 -1.117560 -0.547322
O 2.226539 -0.992739 0.923962
O -4.323334 -1.650294 1.313478
N 2.730722 0.714936 -0.613292
N -3.998172 -0.324304 -0.598200
C -0.124482 1.219402 -0.117805
C -0.605758 0.367996 0.888949
C -0.863199 1.575673 -1.258778
C -2.684395 0.170498 -0.392734
C -1.903674 -0.163656 0.750348
C -2.156257 1.040817 -1.389548
C 2.942678 -0.504234 0.016389
C -4.750903 -1.179658 0.221817
C 4.381503 -2.480552 -0.011224
C 5.632244 -2.954333 -0.742538
C -6.146020 -1.499431 -0.306676
H 0.016749 0.117131 1.751727
H -0.444429 2.260733 -2.002261
H -2.318081 -0.832144 1.506068
H -2.760742 1.303411 -2.266332
H 3.400957 1.087184 -1.295139
H -4.455463 -0.010694 -1.457236
H 4.532454 -2.394914 1.079567
H 3.509482 -3.134433 -0.192285
H 5.913263 -3.960914 -0.382660
H 5.457180 -3.010787 -1.830413
H 6.479008 -2.271392 -0.559112
H -6.894936 -1.134802 0.417679
H -6.261214 -2.594842 -0.368479
H -6.366794 -1.061415 -1.295431


