%chk=000064340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064340

0 1
 S    3.148500      0.1865000      0.7109000    
 S    5.124900      0.2377000      1.5000000E-02
 O    5.962000      0.9333000       1.228400    
 O    5.575500      -1.135300     -0.1085000    
 O    5.159100       1.136100      -1.123000    
 N   6.3900001E-02  0.3096000     -0.6390000    
 N   0.4262000      -1.860200      0.3336000    
 C   -1.357500      0.2272000     -0.2980000    
 C   -3.011700      5.0000002E-04   1.585900    
 C   -3.561000       1.438600     -0.4147000    
 C   -3.484900      -1.073100     -0.6485000    
 C   -1.517600      7.8800000E-02   1.225100    
 C   -2.064700       1.510800     -0.7669000    
 C   -1.988700     -0.9886000     -0.9986000    
 C   -3.714600       1.284200       1.109200    
 C   -3.639700      -1.212500      0.8765000    
 C   -4.185600      0.2166000      -1.111600    
 C   0.7974000     -0.6997000     -0.3083000    
 C    2.268500     -0.5906000     -0.6675000    
 H   -3.128400     -0.1002000       2.670800    
 H   -4.064800       2.352900     -0.7474000    
 H   -3.936900      -1.936300      -1.149900    
 H   -1.083600      0.9646000       1.712000    
 H   -1.026100     -0.7553000       1.718800    
 H   -1.939600       1.643000      -1.849500    
 H   -1.610200       2.391600     -0.2950000    
 H   -1.561100      -1.970500     -0.8135000    
 H   -1.888100     -0.8594000      -2.086300    
 H   -4.778000       1.249000       1.375800    
 H   -3.287600       2.156800       1.618600    
 H   -3.156700      -2.136200       1.218000    
 H   -4.701700      -1.291400       1.139300    
 H   -5.257100      0.1628000     -0.8826000    
 H   -4.097800      0.3211000      -2.200000    
 H    2.683800      -1.584000     -0.8621000    
 H    2.385300      1.8500000E-02  -1.569300    
 H  -0.4965000      -2.118500      0.6471000    
 H    1.131600      -2.563100      0.5355000    
 H    5.659300       1.835400       1.486900    


%chk=000064340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064340

0 1
S 3.685958 0.204268 1.432922
S 5.199491 -0.804002 -0.388158
O 6.757697 0.216101 -0.430207
O 5.699560 -2.297562 -0.059495
O 4.401997 -0.486163 -1.781199
N -0.018858 0.653507 -0.054145
N 1.040356 -1.239702 1.056711
C -1.461626 0.325127 0.014958
C -3.508350 -0.117917 1.472241
C -3.750119 1.269089 -0.633225
C -3.321409 -1.220356 -0.806297
C -1.976635 0.148738 1.477353
C -2.221214 1.520932 -0.630757
C -1.788560 -0.962486 -0.814324
C -4.245351 1.086045 0.826698
C -3.807222 -1.405858 0.656735
C -4.058018 -0.015299 -1.449609
C 0.990631 -0.005033 0.435786
C 2.350448 0.690365 0.236451
H -3.853454 -0.250730 2.516610
H -4.261583 2.135746 -1.095469
H -3.529794 -2.140019 -1.388396
H -1.747377 1.067426 2.051883
H -1.458339 -0.688103 1.986549
H -1.841623 1.662817 -1.660613
H -1.974221 2.440561 -0.066374
H -1.262680 -1.845086 -0.396142
H -1.419523 -0.826962 -1.849040
H -5.339609 0.911367 0.839873
H -4.053264 2.007398 1.412028
H -3.301678 -2.277828 1.120253
H -4.894762 -1.617023 0.669658
H -5.149716 -0.205142 -1.465826
H -3.731649 0.113507 -2.500710
H 2.726158 0.419861 -0.780190
H 2.202227 1.781296 0.255261
H 0.212684 -1.818053 1.171349
H 1.941220 -1.573091 1.411213
H 6.614008 0.922966 -1.127155


