%chk=000101575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101575

0 1
 S  -0.8437000      -2.170600     -0.4405000    
 S    1.827300      -1.856200      0.9601000    
 O   -3.813200       1.019600      0.7487000    
 N   -1.843900     -0.8661000     -0.1439000    
 N    1.040400     -0.3479000     -0.9785000    
 C   -2.456600       1.152800       1.181300    
 C   -3.940200      0.3964000     -0.5311000    
 C   -1.754500     -0.2092000       1.171600    
 C   -3.261400     -0.9767000     -0.5315000    
 C   -1.713500       2.223300      0.3831000    
 C   -5.428800      0.2663000     -0.8309000    
 C   0.7102000      -1.359800     -0.2243000    
 C    2.894400     -0.6035000      0.4452000    
 C    2.298800      0.1012000     -0.6054000    
 C    4.166800     -0.2685000      0.9355000    
 C    3.003900       1.178900      -1.183900    
 C    4.843000      0.8022000      0.3453000    
 C    4.271000       1.517800     -0.7007000    
 H   -2.507600       1.499600       2.220400    
 H   -3.497200       1.043800      -1.296900    
 H  -0.7208000     -4.8799999E-02   1.495200    
 H   -2.223100     -0.8586000       1.924000    
 H   -3.776300      -1.656900      0.1606000    
 H   -3.347300      -1.406200      -1.538000    
 H   -2.290200       3.154100      0.3658000    
 H  -0.7340000       2.426900      0.8276000    
 H   -1.551200       1.929000     -0.6583000    
 H   -5.599500     -0.1949000      -1.808300    
 H   -5.933100     -0.3336000     -6.5300003E-02
 H   -5.906500       1.252100     -0.8219000    
 H    4.619600     -0.8227000       1.751900    
 H    2.566100       1.744900      -2.001300    
 H    5.829100       1.078000      0.7098000    
 H    4.811800       2.347700      -1.147300    


%chk=000101575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101575

0 1
S -0.786110 -2.052199 1.113621
S 2.306008 -2.264978 0.646303
O -4.108297 1.058565 0.361178
N -1.981809 -0.764263 0.773403
N 0.893794 -0.020088 0.084977
C -3.145100 1.279675 1.469858
C -3.515416 0.340511 -0.789107
C -2.583636 -0.087066 1.943251
C -2.940450 -1.020592 -0.324854
C -2.034651 2.281888 1.103958
C -4.637338 0.181314 -1.815617
C 0.749330 -1.233552 0.545806
C 3.165816 -0.809597 -0.024578
C 2.238611 0.261190 -0.249955
C 4.536986 -0.671048 -0.310421
C 2.704470 1.490372 -0.771484
C 4.984536 0.564947 -0.832119
C 4.076878 1.633520 -1.059360
H -3.783868 1.694624 2.271259
H -2.682262 0.941904 -1.207800
H -1.806788 0.073610 2.709581
H -3.410193 -0.686173 2.389585
H -3.780979 -1.679317 -0.002139
H -2.409875 -1.504350 -1.162574
H -2.468744 3.145503 0.569795
H -1.551634 2.658548 2.025219
H -1.253237 1.811232 0.482781
H -4.270961 -0.335101 -2.721512
H -5.474589 -0.398372 -1.388176
H -5.021829 1.172938 -2.108747
H 5.242503 -1.489311 -0.137766
H 1.992495 2.303722 -0.939969
H 6.047196 0.695450 -1.062749
H 4.448944 2.580895 -1.463548


