%chk=000002633.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002633

0 1
 S   -1.275300     -0.6284000       1.661200    
 S   -5.893500     -8.1000002E-03  0.6976000    
 S    4.803600      -1.407500      0.3651000    
 S    5.387700       1.114700      0.8437000    
 O   0.2246000       1.935800       1.212000    
 O   -2.897300      0.8099000      -3.134400    
 O    2.495900      0.2325000       1.781600    
 O   -4.370300       1.793700      -1.687900    
 O    8.777300      -2.021800      -1.295600    
 O    7.966900       1.755100     -0.2029000    
 O    7.219300      -2.961100      6.1000001E-02
 N   -1.422200      0.4674000     -0.7430000    
 N    1.738000      0.8093000     -0.3251000    
 N   -8.649800     -0.1760000      0.8697000    
 N   -7.797800      -1.640400     -0.4839000    
 N   -9.695200     -0.8675000      0.3952000    
 N   -9.168100      -1.761500     -0.4325000    
 N    9.667600      0.3154000      0.3157000    
 C   0.3417000       1.059800      6.8400003E-02
 C  -0.4891000     -0.2314000      7.1099997E-02
 C  -0.5221000       1.489500      -1.134400    
 C   -2.759000      0.2270000     -0.9131000    
 C   -3.424300     -0.6911000     -0.1735000    
 C   -2.725700      -1.471600      0.9361000    
 C    2.714500      0.4099000      0.5796000    
 C   -4.872800      -1.074100     -0.3352000    
 C   -3.449000       1.040000      -1.927000    
 C   0.6012000       3.283900      0.9843000    
 C    4.093700      0.2150000     -7.6300003E-02
 C    6.156700     -0.3320000      0.2887000    
 C   -7.498700     -0.6534000      0.3289000    
 C    7.431600     -0.5668000     -2.9100001E-02
 C    8.362100      0.6103000      4.4999998E-03
 C    7.780300      -1.971100     -0.3834000    
 C   -8.852400      0.8946000       1.812800    
 H  -5.4800000E-02  -1.091400     -0.4522000    
 H  -0.1061000       1.312900      -2.131800    
 H  -0.9719000       2.484400      -1.098300    
 H    2.014900      0.9336000      -1.295900    
 H   -2.416300      -2.450200      0.5530000    
 H   -3.415300      -1.646200       1.768600    
 H   -5.181400     -0.9716000      -1.381600    
 H   -5.022500      -2.126400     -6.7299999E-02
 H   0.8353000       3.739300       1.950500    
 H  -0.2306000       3.837500      0.5412000    
 H    1.485800       3.361400      0.3457000    
 H    4.105200      0.4170000      -1.155200    
 H   -3.328100       1.333800      -3.843100    
 H   -8.316900      0.6526000       2.734000    
 H   -9.920100      0.9981000       2.024100    
 H   -8.472700       1.820700       1.374500    
 H    10.36710       1.048200      0.3716000    
 H    9.986100     -0.6298000      0.5042000    
 H    9.001900      -2.943800      -1.544100    


%chk=000002633-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002633

0 1
S -2.112128 -1.370522 1.344971
S -5.955615 1.229755 -0.609100
S 4.999624 -1.918172 0.493658
S 4.289839 -0.530374 -1.895394
O 0.567972 -0.375701 2.039372
O -1.325794 2.485772 -2.129613
O 1.573828 -2.924518 0.132978
O -3.633328 2.380797 -2.263499
O 8.613526 0.866316 0.810588
O 5.922400 1.403178 -2.434779
O 7.285733 -0.867378 1.590213
N -1.108763 0.237071 -0.720844
N 1.732944 -0.593059 -0.075192
N -7.945200 0.467554 1.200016
N -6.658386 -1.248429 0.598309
N -8.434639 -0.672100 1.888155
N -7.646306 -1.689843 1.506399
N 7.883393 2.145222 -1.439691
C 0.482150 -0.249421 0.608558
C -0.777355 -0.985415 0.047233
C -0.124712 1.088736 0.033311
C -2.402049 0.568826 -1.146397
C -3.491953 -0.274396 -0.929667
C -3.397857 -1.501946 -0.041823
C 2.201727 -1.886852 -0.227264
C -4.831752 -0.060401 -1.565910
C -2.556697 1.850627 -1.884462
C 1.602917 0.458024 2.669836
C 3.589274 -2.022689 -0.843721
C 5.520417 -0.563987 -0.572409
C -6.871758 0.089469 0.427411
C 6.624881 0.264917 -0.443435
C 6.798192 1.309756 -1.496816
C 7.485934 0.020413 0.712655
C -8.571296 1.778064 1.371300
H -0.609170 -1.890286 -0.551942
H 0.505163 1.716462 -0.614838
H -0.595643 1.691819 0.832503
H 2.292562 0.164428 -0.481327
H -3.159693 -2.409389 -0.628522
H -4.373242 -1.677171 0.447884
H -4.791043 0.394761 -2.563769
H -5.433171 -0.982207 -1.565961
H 1.492798 0.281792 3.749714
H 1.445877 1.534916 2.453156
H 2.617159 0.154440 2.347313
H 3.677706 -2.971669 -1.390135
H -1.510346 3.335434 -2.614785
H -7.870767 2.485987 1.846521
H -9.450946 1.645182 2.017445
H -8.887396 2.183083 0.394747
H 7.983240 2.846282 -2.172194
H 8.567396 2.052485 -0.684445
H 9.130054 0.614458 1.621486


