%chk=000101216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101216

0 1
 S    1.899300       1.163200     -5.5799998E-02
 S   -2.894100      -1.921500      0.1270000    
 O   -1.415000      -1.307200     -0.1959000    
 O    1.737200       2.187100      0.9598000    
 O    1.491700       1.441100      -1.420800    
 O   -2.935300      -2.355900       1.509600    
 O   -3.252900      -2.814400     -0.9586000    
 N    1.156800     -0.2984000      0.4792000    
 C   0.9537000      -1.378100     -0.5200000    
 C  -0.2949000      -2.182400     -0.1951000    
 C    3.616400      0.7317000     -9.7999997E-02
 C    1.559000     -0.8359000       1.803800    
 C    4.150100      0.2082000      -1.260900    
 C    4.386600      0.9279000       1.033100    
 C   -3.970500     -0.5264000      2.4599999E-02
 C    6.297100      5.8800001E-02 -0.1633000    
 C    5.502600     -0.1315000      -1.293900    
 C    5.739100      0.5885000       1.000200    
 C   -4.551800     -0.2056000      -1.191300    
 C   -4.216700      0.2250000       1.162200    
 C   -5.660500       1.663300     -0.1355000    
 C   -5.402600      0.8969000      -1.272100    
 C   -5.067600       1.327300       1.081600    
 C    7.743500     -0.3029000     -0.1989000    
 C   -6.571200       2.841100     -0.2212000    
 H    1.832200      -2.031100     -0.5571000    
 H   0.8202000     -0.9386000      -1.513800    
 H  -0.2195000      -2.684700      0.7741000    
 H  -0.4414000      -2.950200     -0.9629000    
 H    1.833000     -2.4400000E-02   2.484100    
 H    2.404300      -1.523700       1.712700    
 H   0.7177000      -1.353500       2.272600    
 H    3.546200      4.6599999E-02  -2.148300    
 H    3.971100       1.336200       1.948900    
 H    5.925900     -0.5431000      -2.206300    
 H    6.348200      0.7426000       1.887000    
 H   -4.357500     -0.7841000      -2.089200    
 H   -3.758300     -1.3100000E-02   2.117100    
 H   -5.855900       1.150700      -2.226600    
 H   -5.258000       1.918900       1.973200    
 H    7.925100      -1.139200     -0.8826000    
 H    8.337300      0.5552000     -0.5288000    
 H    8.097000     -0.6154000      0.7897000    
 H   -7.095400       3.005200      0.7265000    
 H   -5.998800       3.741400     -0.4658000    
 H   -7.337800       2.693000     -0.9894000    


%chk=000101216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101216

0 1
S 1.134286 0.766104 -0.249048
S -2.975103 -2.471246 0.249814
O -1.782214 -2.504371 -1.237204
O 0.554457 1.709379 0.947250
O 0.768140 1.012970 -1.814601
O -2.063150 -2.752825 1.570029
O -4.208080 -3.458682 -0.089422
N 0.457432 -0.961311 0.168973
C 0.617840 -1.901711 -0.960613
C -0.449421 -3.017596 -0.909896
C 3.020777 0.754195 -0.096165
C 0.944627 -1.412926 1.493640
C 3.774037 0.421140 -1.234598
C 3.597028 1.090429 1.140024
C -3.569380 -0.697618 0.163921
C 5.815416 0.737897 0.116482
C 5.180935 0.413928 -1.112989
C 5.006082 1.075820 1.234283
C -4.894220 -0.486256 -0.248163
C -2.679677 0.331028 0.514604
C -4.496401 1.932977 0.043426
C -5.348814 0.850600 -0.299486
C -3.161790 1.653895 0.446947
C 7.328855 0.761251 0.222649
C -4.992143 3.365318 -0.021552
H 1.622202 -2.390015 -0.967553
H 0.486886 -1.331626 -1.898004
H -0.461996 -3.513551 0.081549
H -0.214873 -3.775826 -1.681618
H 0.887929 -0.570237 2.203864
H 1.977584 -1.823972 1.472735
H 0.239046 -2.183308 1.852319
H 3.277560 0.205849 -2.186555
H 2.966008 1.378294 1.987165
H 5.793246 0.161590 -1.986343
H 5.482259 1.336383 2.186436
H -5.539880 -1.329329 -0.512432
H -1.645559 0.120428 0.800521
H -6.378866 1.051323 -0.614531
H -2.476976 2.470572 0.700774
H 7.796777 0.044224 -0.473710
H 7.722779 1.765627 -0.026299
H 7.668911 0.520558 1.244651
H -4.961458 3.841915 0.976120
H -4.356292 3.974743 -0.689895
H -6.029204 3.422568 -0.392597


