%chk=000001083.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001083

0 1
 S    1.619600       1.255400      0.2757000    
 O   -1.912400     -0.9588000      -2.164900    
 O    1.290000      -2.437700       1.042400    
 O   -4.903800      0.2083000       2.277300    
 O   -5.974500       1.551100      0.7969000    
 O    3.653500       4.567900     -3.8899999E-02
 O    2.275900       2.883200      -1.698000    
 O    4.486200     -0.8620000      0.8010000    
 O    5.776500      -2.645600       1.350800    
 N  -0.6078000      -1.033900     -0.2446000    
 N    2.822300      -2.219800     -0.6859000    
 N   -6.768100     -0.6885000     -0.6002000    
 C   0.6764000      -1.119600     -0.9006000    
 C   -4.326100     -0.7870000     -0.7496000    
 C   -2.994300     -0.8694000     -6.9999998E-04
 C   -5.537100     -0.7685000      0.1898000    
 C    1.266100      0.2588000      -1.209000    
 C   -1.805000     -0.9601000     -0.9417000    
 C    1.601400      -2.000700     -6.3699998E-02
 C   -5.517900      0.4532000       1.090500    
 C    3.875200      -3.002300     -8.1799999E-02
 C    2.186900       2.744700     -0.4834000    
 C    2.577100       3.822500      0.5133000    
 C    1.427300       4.783800      0.7657000    
 C    4.812400      -2.174800      0.7596000    
 H   0.5245000      -1.642400      -1.854400    
 H   -4.321900      0.1144000      -1.377800    
 H   -4.408000      -1.642300      -1.433600    
 H   -2.848000      1.9400001E-02  0.6232000    
 H   -2.984400      -1.751100      0.6509000    
 H   -5.573000      -1.674500      0.8049000    
 H  -0.6259000      -1.003400      0.7711000    
 H    2.193900      0.1643000      -1.782200    
 H   0.5571000      0.8207000      -1.828300    
 H    2.992900      -1.837400      -1.610700    
 H   -7.575700     -0.7590000      1.8100001E-02
 H   -6.822700      -1.489200      -1.228800    
 H    3.432800      -3.778500      0.5496000    
 H    4.447000      -3.457900     -0.8952000    
 H    2.934700       3.383100       1.449500    
 H    1.079000       5.239200     -0.1684000    
 H    1.745300       5.602200       1.420300    
 H   0.5770000       4.273500       1.228900    
 H   -4.882600       1.005000       2.849100    
 H    3.328300       5.031400     -0.8297000    
 H    5.109700     -0.3456000       1.354900    


%chk=000001083-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001083

0 1
S 1.039775 1.555303 0.057101
O -2.141876 -0.832441 -2.145547
O 1.063200 -2.121223 1.245070
O -5.221411 -1.399743 2.260824
O -7.257818 -0.335009 1.977387
O 4.808140 2.926976 0.042477
O 2.933990 2.130227 -1.852192
O 4.696700 0.299775 -0.040563
O 5.106245 -0.296326 2.177681
N -0.933644 -1.240087 -0.210809
N 2.740265 -1.520732 -0.253843
N -6.974816 -0.206428 -0.732496
C 0.364963 -1.080352 -0.868209
C -4.528759 -0.502600 -0.452224
C -3.384474 -1.484462 -0.116931
C -5.952357 -0.974466 -0.028300
C 0.602422 0.369881 -1.361962
C -2.119855 -1.154058 -0.911459
C 1.425786 -1.616269 0.135769
C -6.233445 -0.841907 1.469245
C 3.837954 -1.810011 0.681749
C 2.555425 2.300989 -0.668545
C 3.369425 3.174131 0.311922
C 3.022038 4.664378 0.161493
C 4.613157 -0.536986 1.056004
H 0.381611 -1.707871 -1.786227
H -4.335991 0.496807 -0.021727
H -4.549034 -0.373094 -1.550298
H -3.185199 -1.511455 0.967015
H -3.694179 -2.509521 -0.410575
H -5.999349 -2.078682 -0.226183
H -0.886197 -1.592200 0.754769
H 1.437880 0.448541 -2.081320
H -0.315615 0.728827 -1.848696
H 2.990339 -0.990662 -1.092816
H -7.846015 -0.044113 -0.225007
H -7.056355 -0.372494 -1.734097
H 3.410738 -2.251983 1.594515
H 4.545616 -2.536037 0.238442
H 3.220771 2.835107 1.349400
H 3.170247 5.001060 -0.880852
H 3.666207 5.260468 0.829059
H 1.967520 4.846658 0.433574
H -5.481147 -1.315885 3.218749
H 4.999938 3.209704 -0.890788
H 5.006985 1.260365 0.140820


