%chk=000049045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049045

0 1
 S    1.693400       1.230900      -1.413700    
 O   0.8209000      -1.322800       1.003000    
 O    1.209800      -2.364500      -1.012600    
 N   -3.850100     -0.7778000     -0.1924000    
 C   -2.890400      -1.655200      0.4668000    
 C   -1.495100      -1.040300      0.4248000    
 C   -5.180700      -1.388100     -0.2083000    
 C   -3.897800      0.5259000      0.4719000    
 C  -0.4655000      -1.945500       1.087500    
 C   -5.154800      -2.743700     -0.8939000    
 C   -4.845300       1.473000     -0.2447000    
 C  -0.2077000       3.014200     -0.4072000    
 C   0.9886000       2.148400     -1.2800000E-02
 C  -0.8432000       3.758800      0.7702000    
 C    2.855300     -0.9198000     -6.9100000E-02
 C    3.033000      0.3492000     -0.6205000    
 C    1.571600      -1.611800     -0.1019000    
 C   -2.086100       4.520900      0.3363000    
 C    3.927500      -1.572600      0.5392000    
 C    4.283400      0.9652000     -0.5634000    
 C    5.177700     -0.9565000      0.5961000    
 C    5.355700      0.3123000      4.4799998E-02
 H   -3.181000      -1.859200       1.505700    
 H   -2.810500      -2.617800     -4.8599999E-02
 H   -1.198500     -0.8308000     -0.6107000    
 H   -1.433800     -8.9100003E-02  0.9618000    
 H   -5.595700      -1.494400      0.8020000    
 H   -5.878000     -0.7780000     -0.7914000    
 H   -4.184500      0.4394000       1.527400    
 H   -2.931700       1.034300      0.4306000    
 H  -0.6958000      -2.067900       2.151400    
 H  -0.4530000      -2.947900      0.6437000    
 H   -4.617400      -2.708600      -1.847900    
 H   -4.716800      -3.524200     -0.2639000    
 H   -6.180700      -3.062400      -1.111400    
 H   -4.643100       1.512500      -1.320500    
 H   -5.897000       1.214500     -8.8600002E-02
 H   -4.721400       2.486800      0.1507000    
 H  -0.9714000       2.378000     -0.8738000    
 H   0.1023000       3.746100      -1.164100    
 H   0.6845000       1.434400      0.7590000    
 H    1.771100       2.783400      0.4169000    
 H  -0.1180000       4.454800       1.206500    
 H   -1.119000       3.042000       1.552400    
 H   -2.550300       5.011900       1.197200    
 H   -2.822800       3.850600     -0.1137000    
 H   -1.833000       5.291600     -0.3989000    
 H    3.802800      -2.561800      0.9725000    
 H    4.444400       1.953900     -0.9864000    
 H    6.012600      -1.464700       1.069700    
 H    6.329100      0.7919000      8.9400001E-02


%chk=000049045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049045

0 1
S 1.577162 1.102057 -1.303100
O 0.788300 -0.902705 1.032240
O 1.552169 -2.965679 0.248525
N -4.069532 -0.812723 -0.038387
C -3.014790 -1.478319 0.768628
C -1.604357 -0.957383 0.409716
C -5.247181 -1.685979 -0.294063
C -4.444770 0.520787 0.505493
C -0.539581 -1.500563 1.370774
C -4.973861 -2.762590 -1.361797
C -4.995103 1.476702 -0.570383
C -0.220766 2.964778 -0.208044
C 1.069130 2.215774 0.162633
C -0.726678 3.862792 0.947999
C 2.991043 -1.007077 0.070942
C 3.058352 0.250021 -0.594947
C 1.723248 -1.733353 0.413542
C -2.042967 4.588657 0.593547
C 4.195373 -1.677948 0.416721
C 4.325128 0.822497 -0.862976
C 5.450747 -1.092457 0.157865
C 5.516551 0.168509 -0.477405
H -3.199132 -1.351638 1.867465
H -3.055300 -2.565105 0.570357
H -1.364475 -1.245046 -0.628582
H -1.590223 0.147549 0.446064
H -5.611206 -2.168985 0.649116
H -6.071103 -1.041427 -0.651029
H -5.183206 0.425105 1.342668
H -3.536735 0.974739 0.945399
H -0.730123 -1.185448 2.411850
H -0.454948 -2.601012 1.319658
H -4.676017 -2.286107 -2.311716
H -4.162984 -3.450382 -1.059780
H -5.880280 -3.371903 -1.537336
H -4.246796 1.618610 -1.369523
H -5.917521 1.085533 -1.036255
H -5.236851 2.461472 -0.127258
H -1.008899 2.231978 -0.474535
H -0.050614 3.587567 -1.109059
H 0.925636 1.546947 1.026031
H 1.903211 2.911241 0.360537
H 0.052919 4.608644 1.203074
H -0.875365 3.242710 1.855360
H -2.392621 5.220832 1.430207
H -2.844516 3.862721 0.357895
H -1.911169 5.239405 -0.291114
H 4.125211 -2.664240 0.887050
H 4.364602 1.777318 -1.396793
H 6.368409 -1.618946 0.440787
H 6.486080 0.631569 -0.690961


