%chk=000038062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038062

1 1
 S   0.2572000       2.106700     -0.3063000    
 S    2.278400       1.831600     -0.3752000    
 O   -4.154500     -0.5499000     -8.1200004E-02
 N   -1.425100      1.9099999E-02  0.2230000    
 N    3.312800     -0.5708000      5.2000001E-02
 C   -1.860700      -1.338500     -0.1047000    
 C   -2.426900      0.8319000      0.9130000    
 C   -3.190200      -1.276000     -0.8475000    
 C   -3.731200      0.8000000      0.1254000    
 C  -0.1356000      0.4324000      5.9099998E-02
 C   0.9009000     -0.4180000      0.1685000    
 C    2.248200      0.1339000     -2.6799999E-02
 C    4.661200      2.4800001E-02 -0.1522000    
 C    3.265400      -2.027400      0.3531000    
 H   -1.976200      -1.905700      0.8267000    
 H   -1.144200      -1.870100     -0.7410000    
 H   -2.122100       1.871500       1.066400    
 H   -2.589700      0.3971000       1.907200    
 H   -3.078600     -0.8030000      -1.830600    
 H   -3.579600      -2.286600      -1.005600    
 H   -4.518800       1.315600      0.6839000    
 H   -3.626400       1.300500     -0.8448000    
 H   0.7634000      -1.463400      0.4131000    
 H    4.827300      0.7982000      0.6033000    
 H    4.722100      0.4278000      -1.167200    
 H    5.430300     -0.7436000     -3.6499999E-02
 H    4.276600      -2.442500      0.3610000    
 H    2.686200      -2.529800     -0.4270000    
 H    2.818800      -2.167500       1.341500    


%chk=000038062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038062

1 1
S 0.178510 2.236997 0.422825
S 2.436255 1.920952 0.222516
O -4.216228 -0.557426 -0.227101
N -1.478322 0.069298 0.422491
N 3.385105 -0.620992 -0.050696
C -1.941319 -1.349704 0.355272
C -2.582455 1.035240 0.707191
C -3.136629 -1.469010 -0.617328
C -3.747182 0.829786 -0.286173
C -0.174582 0.435145 0.340327
C 0.941094 -0.417806 0.193341
C 2.248368 0.106421 0.102888
C 4.712190 0.038653 -0.091386
C 3.312004 -2.102071 -0.088577
H -2.254420 -1.659630 1.370412
H -1.125736 -2.006644 0.018353
H -2.215444 2.076549 0.636246
H -2.937232 0.860581 1.740677
H -2.810080 -1.257154 -1.657227
H -3.563476 -2.482716 -0.565679
H -4.606379 1.454141 0.003177
H -3.429094 1.089838 -1.317337
H 0.803457 -1.498868 0.163934
H 5.066283 0.295840 0.923997
H 4.668342 0.957910 -0.706732
H 5.441109 -0.636343 -0.563175
H 4.326003 -2.506513 -0.214883
H 2.694296 -2.440991 -0.939812
H 2.894564 -2.503184 0.853058


