%chk=000059251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059251

0 1
 S  -0.1870000      0.1889000      -2.197100    
 O    1.020700     -0.3607000      -2.762600    
 O   -1.190400      0.8194000      -3.019300    
 O  -0.4274000     -6.3000001E-02   2.864700    
 O    4.922100      6.6399999E-02 -0.5555000    
 N   0.2489000       1.284000     -0.9340000    
 C    1.356300      0.8044000     -0.1311000    
 C  -0.8968000       1.769000     -0.1900000    
 C    1.162700      0.3412000       1.175300    
 C   -1.156100       1.334200       1.114600    
 C  -0.1667000      0.4808000       1.800800    
 C  -0.9667000      -1.068400      -1.238700    
 C    2.627200      0.7032000     -0.7102000    
 C   -1.820300       2.607400     -0.8268000    
 C    2.223300     -0.2124000       1.898900    
 C   -2.319500       1.732500       1.780100    
 C    3.688500      0.1572000      1.3100000E-02
 C    3.485900     -0.3023000       1.313600    
 C   -2.328900     -0.9889000     -0.9921000    
 C  -0.2074000      -2.118300     -0.7450000    
 C   -2.978600       3.011400     -0.1616000    
 C   -3.228800       2.572400       1.137800    
 C   -2.194800      -3.044900      0.2693000    
 C   -2.946600      -1.983200     -0.2334000    
 C  -0.8251000      -3.112600      1.3500000E-02
 C   -2.855000      -4.108500       1.080000    
 C    5.960600     -0.5090000      0.2356000    
 H    2.809900       1.072400      -1.716600    
 H   -1.641800       2.979700      -1.831800    
 H    2.086600     -0.5679000       2.916500    
 H   -2.528400       1.408100       2.795600    
 H    4.266200     -0.7382000       1.928100    
 H   -2.938600     -0.1802000      -1.382100    
 H   0.8592000      -2.193000     -0.9333000    
 H   -3.686500       3.669500     -0.6571000    
 H   -4.131800       2.888100       1.652100    
 H   -4.014300      -1.919500     -4.1200001E-02
 H  -0.2282000      -3.933800      0.4014000    
 H   -2.830500      -3.841000       2.141000    
 H   -3.898400      -4.246400      0.7768000    
 H   -2.353400      -5.073400      0.9494000    
 H    5.747300      -1.555000      0.4808000    
 H    6.168000      9.2699997E-02   1.126900    
 H    6.871000     -0.5030000     -0.3726000    


%chk=000059251-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059251

0 1
S -0.254904 0.131765 -2.309460
O 1.126645 -0.416185 -2.987004
O -1.419734 0.855905 -3.196897
O -0.331617 0.550471 3.318097
O 4.828900 -0.080031 -0.596012
N 0.362471 1.636277 -0.712292
C 1.363630 0.988256 0.045346
C -0.834228 1.999724 -0.058707
C 1.175289 0.622126 1.425083
C -1.099249 1.676974 1.315764
C -0.101368 0.913420 2.114120
C -1.041459 -1.282385 -1.350616
C 2.604060 0.736828 -0.593077
C -1.788245 2.756342 -0.802086
C 2.247005 0.018025 2.121251
C -2.299334 2.126010 1.916781
C 3.650272 0.115311 0.124829
C 3.475464 -0.249020 1.491824
C -2.420599 -1.219976 -1.086170
C -0.214258 -2.332186 -0.915385
C -2.983811 3.172009 -0.190434
C -3.242991 2.859479 1.171983
C -2.202122 -3.357080 0.129224
C -2.992583 -2.275300 -0.343519
C -0.814437 -3.373584 -0.175472
C -2.823535 -4.461728 0.962459
C 5.968104 -0.695164 0.094998
H 2.757161 1.025608 -1.634751
H -1.564784 3.004422 -1.842688
H 2.089116 -0.230788 3.176198
H -2.459613 1.885553 2.973238
H 4.285561 -0.716176 2.058894
H -3.024259 -0.390729 -1.468066
H 0.850240 -2.345088 -1.169943
H -3.711254 3.754367 -0.765929
H -4.169730 3.202027 1.644704
H -4.066983 -2.255971 -0.128510
H -0.195504 -4.209652 0.169336
H -2.777274 -4.209015 2.039465
H -3.886159 -4.615435 0.707064
H -2.294001 -5.420650 0.827540
H 5.721583 -1.716015 0.444503
H 6.300809 -0.075536 0.949621
H 6.764127 -0.743903 -0.661504


