%chk=000002638.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002638

0 1
 S  -0.5182000     -0.1545000      -2.260200    
 S    6.359200       1.642100      0.1000000    
 O    1.290200      -2.479900      -1.484100    
 O  -0.1666000      -3.103200       1.317600    
 O   -4.164900       1.986000     -0.2159000    
 O   -2.508400      -1.316400       2.495400    
 O    3.479500     -0.5024000      -1.484100    
 O   -3.949400      -2.262600      0.9927000    
 O   -6.466400       2.006600     -0.1668000    
 N  -0.8852000      -1.177500      0.1622000    
 N    2.269400      -1.217300      0.3615000    
 N   -5.257700       3.941600      0.1188000    
 C    1.052700      -1.598700     -0.3683000    
 C   9.5399998E-02 -0.4052000     -0.5788000    
 C  -4.9699999E-02  -2.154100      0.5781000    
 C   -2.194200     -0.8325000      0.2683000    
 C   -2.749000      9.6199997E-02 -0.5467000    
 C   -1.999700      0.7541000      -1.703200    
 C   -4.171100      0.5918000     -0.4390000    
 C    3.390100     -0.6955000     -0.2727000    
 C   -2.997000      -1.558900       1.263200    
 C    1.718400      -3.790600      -1.146100    
 C    4.519300     -0.3588000      0.6805000    
 C    4.808400       1.114100      0.5986000    
 C    3.968900       2.169300      0.8802000    
 C   -5.391100       2.591900     -9.4499998E-02
 C    4.607200       3.427900      0.6837000    
 C    5.910100       3.286700      0.2596000    
 H   0.3856000      0.5182000     -6.1900001E-02
 H    2.302000      -1.334200       1.371400    
 H   -2.656400      0.8304000      -2.576400    
 H   -1.701800       1.769000      -1.418200    
 H   -4.703100      0.3655000      -1.371500    
 H   -4.714700      0.1111000      0.3800000    
 H    2.136900      -4.253600      -2.044000    
 H   0.8669000      -4.392800     -0.8180000    
 H    2.492400      -3.777500     -0.3734000    
 H    4.260900     -0.6182000       1.713100    
 H    5.383800     -0.9712000      0.4003000    
 H   -3.016400      -1.783400       3.192600    
 H    2.945300       2.049600       1.212300    
 H    4.134700       4.388000      0.8453000    
 H    6.619800       4.070600      3.5999998E-02
 H   -6.068000       4.541600      0.2309000    
 H   -4.344600       4.380400      0.1707000    


%chk=000002638-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002638

0 1
S -1.355626 -1.060028 -2.126200
S 4.325711 2.091694 1.675407
O 1.043729 -2.369450 -1.038710
O 0.309563 -1.677025 2.105886
O -4.739135 2.040211 -0.802107
O -1.230486 0.751140 2.921892
O 2.331139 0.535519 -2.355399
O -3.501450 0.281173 2.784425
O -6.100113 0.686419 -2.185964
N -0.776701 -0.232865 0.449609
N 2.283540 -0.437302 -0.230602
N -5.903941 3.006006 -2.496134
C 0.992639 -1.099954 -0.358032
C -0.179508 -0.225189 -0.915069
C 0.188463 -1.105436 1.007770
C -2.090418 0.167210 0.776923
C -3.024901 0.377450 -0.218630
C -2.725175 0.184159 -1.697836
C -4.432782 0.858410 0.060422
C 2.880031 0.307504 -1.241644
C -2.381460 0.379655 2.225795
C 1.868166 -3.394474 -0.367403
C 4.301792 0.840373 -0.928340
C 4.760539 0.776960 0.502369
C 5.525319 -0.197243 1.134986
C -5.637297 1.811673 -1.870044
C 5.777390 0.060827 2.533272
C 5.208861 1.240112 2.984143
H 0.093104 0.770251 -1.288634
H 2.785654 -0.521283 0.659927
H -3.629332 -0.190995 -2.208956
H -2.463715 1.152435 -2.162076
H -5.163792 0.062587 -0.182131
H -4.581116 1.191472 1.095058
H 1.774217 -4.289353 -0.999572
H 1.490152 -3.603755 0.650050
H 2.929317 -3.081478 -0.321689
H 4.992960 0.249389 -1.559632
H 4.333376 1.868998 -1.328929
H -1.438156 0.802364 3.893386
H 5.912500 -1.072711 0.605572
H 6.360752 -0.602655 3.175779
H 5.234726 1.681219 3.978834
H -6.528111 3.007814 -3.297889
H -5.496927 3.871870 -2.150681


