%chk=000077113.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077113

0 1
 S    4.687000      0.4981000      0.7258000    
 S   -2.146400       1.733800      -2.072000    
 P   -2.235800      0.6001000     -0.4752000    
 O   -1.053300     -0.5160000     -0.4089000    
 O   -3.525700     -0.4035000     -0.5260000    
 N   -2.289600       1.330000       1.022800    
 C   0.2729000     -0.2944000     -0.1479000    
 C    2.510400      -1.139500      0.1370000    
 C    1.159700      -1.365400     -0.1283000    
 C    2.965900      0.1563000      0.3810000    
 C   0.7201000      0.9998000      9.4300002E-02
 C    2.070700       1.225800      0.3594000    
 C    3.430300      -2.318200      0.1486000    
 C   -3.655800      -1.452800      0.4197000    
 C   -3.254900       2.386100       1.289300    
 C   -4.932800      -2.215300      0.1375000    
 C    5.277500      0.7750000     -0.9573000    
 H   0.7895000      -2.369300     -0.3207000    
 H   7.0400000E-02   1.865500      8.3400004E-02
 H    2.405400       2.243700      0.5452000    
 H   -2.261500      0.7018000       1.825000    
 H    3.933300      -2.409800       1.116900    
 H    2.889300      -3.257200     -1.5100000E-02
 H    4.176500      -2.237200     -0.6480000    
 H   -2.800400      -2.130300      0.3432000    
 H   -3.690200      -1.037200       1.430600    
 H   -4.276400       2.003700       1.210000    
 H   -3.130700       3.220000      0.5935000    
 H   -3.109000       2.775400       2.301400    
 H   -5.065200      -3.033900      0.8504000    
 H   -5.800400      -1.549900      0.1984000    
 H   -4.919200      -2.628400     -0.8765000    
 H    4.756300       1.622000      -1.412300    
 H    5.125600     -0.1140000      -1.575100    
 H    6.347000       1.000100     -0.9317000    


%chk=000077113-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077113

0 1
S 4.738613 0.913383 0.491336
S -2.649598 2.253649 -1.691805
P -2.501744 0.690789 -0.362980
O -1.132366 -0.436537 -0.323299
O -3.698955 -0.505781 -0.715451
N -2.480487 1.131272 1.299540
C 0.221283 -0.050027 -0.154885
C 2.498256 -0.874381 0.293235
C 1.114557 -1.111513 0.107506
C 2.967426 0.469941 0.199835
C 0.682571 1.282022 -0.244098
C 2.061690 1.523237 -0.065222
C 3.425169 -2.040472 0.579879
C -3.809513 -1.737729 0.123027
C -3.075712 2.360894 1.845800
C -5.064538 -2.456897 -0.364384
C 5.518513 0.304002 -1.122453
H 0.716934 -2.130159 0.167264
H -0.001345 2.106405 -0.468330
H 2.444836 2.546051 -0.136137
H -1.983236 0.509287 1.940666
H 4.252345 -1.730209 1.241870
H 2.880473 -2.876876 1.050413
H 3.879504 -2.428410 -0.352814
H -2.898104 -2.345016 -0.020391
H -3.894177 -1.447245 1.190071
H -3.966122 2.147350 2.466232
H -3.379405 3.013853 1.008728
H -2.333179 2.910812 2.452091
H -5.207603 -3.394434 0.204763
H -5.956048 -1.821632 -0.230097
H -4.972826 -2.706366 -1.434697
H 5.030906 0.794112 -1.978199
H 5.431518 -0.790077 -1.202726
H 6.580866 0.591601 -1.075886


