%chk=000080706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080706

0 1
 S   -4.288100     -0.5332000      6.9899999E-02
 O  -0.6516000       3.020200     -8.0000004E-03
 O   -4.715500     -0.6704000      -1.502200    
 O   -4.366200      -1.866300      0.6490000    
 O   -5.038100      0.5714000      0.6470000    
 O    4.956600      -1.543600     -7.8999996E-03
 N    3.789100      0.5047000     -1.8999999E-02
 C   9.0200000E-02  0.7211000      1.3300000E-02
 C  -0.2520000     -0.6520000      3.3100002E-02
 C   -2.609500     -5.2099999E-02  4.8200000E-02
 C   -1.606600      -1.022000      5.0500002E-02
 C  -0.9324000       1.683700      1.1200000E-02
 C    1.444900       1.091100     -4.1999999E-03
 C    2.447800      0.1212000     -2.0999999E-03
 C   0.7706000      -1.614600      3.5000000E-02
 C   -2.273000       1.298100      2.8700000E-02
 C    2.111300      -1.229000      1.7500000E-02
 C    4.924000     -0.3173000     -1.9300001E-02
 C    6.198300      0.4889000     -4.0800001E-02
 H   -1.869000      -2.078100      5.7999998E-02
 H    1.750300       2.133900     -3.6100000E-02
 H   0.5297000      -2.675600      5.0200000E-02
 H   -3.042700       2.065600      1.8700000E-02
 H    2.830300      -2.036300      2.0600000E-02
 H    3.954300       1.509000     -3.2200001E-02
 H   0.1980000       3.191600      0.4271000    
 H   -4.220300      -1.350200      -2.017100    
 H    6.241800       1.086600     -0.9556000    
 H    7.061700     -0.1815000     -1.2500000E-02
 H    6.234400       1.149700      0.8300000    


%chk=000080706-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080706

0 1
S -4.349582 -0.636172 0.046555
O -0.698864 3.039463 0.136842
O -4.574686 -0.547577 -1.797838
O -4.482567 -2.180429 0.510626
O -5.275801 0.506726 0.721320
O 5.069971 -1.503806 -0.012456
N 3.872131 0.520765 -0.008890
C 0.129386 0.685017 0.061332
C -0.221726 -0.721421 0.051547
C -2.555383 -0.119676 0.047089
C -1.594897 -1.120473 0.038746
C -0.938892 1.660170 0.099392
C 1.508399 1.050820 0.033539
C 2.523425 0.076477 0.022501
C 0.835181 -1.688603 0.041995
C -2.278547 1.267270 0.080696
C 2.176605 -1.318699 0.032463
C 5.051944 -0.240364 -0.026221
C 6.334728 0.585494 -0.063560
H -1.876366 -2.177964 0.033541
H 1.805116 2.109258 -0.001659
H 0.570219 -2.751681 0.039922
H -3.076583 2.012916 0.121115
H 2.976679 -2.060177 0.024949
H 4.000566 1.535025 -0.022150
H 0.243655 3.247465 0.349430
H -5.541879 -0.724591 -1.988924
H 6.908665 0.312961 -0.965934
H 6.956120 0.319235 0.808577
H 6.171279 1.677172 -0.063544


