%chk=000003726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003726

0 1
 I   -4.916500      -3.452100       2.320700    
 S    7.004300     -0.2522000     -0.1918000    
 O    7.393600      -1.499900      0.5511000    
 N   0.2986000       1.132700     -8.8999998E-03
 N   0.1703000      -1.059800     -0.3380000    
 N   -4.045100       3.790300      0.3735000    
 C   -1.035100      0.8391000     -5.7999998E-02
 C   -1.089000     -0.5197000     -0.2623000    
 C   0.9830000     -3.8199998E-02 -0.1820000    
 C    2.424500     -8.9599997E-02 -0.1843000    
 C   -2.285600      -1.296800     -0.3835000    
 C   -2.059100       1.843200      8.8799998E-02
 C    3.082300      -1.237600      0.2568000    
 C    3.160700       1.009200     -0.6279000    
 C   -2.876800      -1.858900      0.7507000    
 C   -2.866600      -1.497500      -1.638200    
 C    5.212500     -0.1885000     -0.1889000    
 C    4.476200      -1.287100      0.2547000    
 C    4.554700      0.9598000     -0.6302000    
 C   -2.560000       2.151000       1.349200    
 C   -2.550700       2.508200      -1.029400    
 C   -4.041700      -2.617100      0.6309000    
 C   -4.031300      -2.255500      -1.758000    
 C   -4.618900      -2.815200     -0.6235000    
 C   -3.543300       3.123300       1.436900    
 C   -3.534300       3.464500     -0.8351000    
 C    7.293500       1.144400      0.9267000    
 H   0.6970000       2.050300      0.1428000    
 H    2.527400      -2.104100      0.6088000    
 H    2.679300       1.913000     -0.9928000    
 H   -2.422600      -1.702000       1.727500    
 H   -2.421500      -1.068400      -2.533100    
 H    4.961700      -2.195000      0.6016000    
 H    5.108400       1.821400     -0.9935000    
 H   -2.202600       1.653300       2.245000    
 H   -2.185700       2.295400      -2.029100    
 H   -4.480700      -2.409800      -2.734600    
 H   -5.526300      -3.402500     -0.7394000    
 H   -3.967100       3.399400       2.396800    
 H   -3.951000       4.011000      -1.674800    
 H    8.357000       1.165500       1.178400    
 H    7.031000       2.082600      0.4333000    
 H    6.711800       1.020400       1.843600    


%chk=000003726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003726

0 1
I -2.774387 -5.329167 1.896627
S 7.101893 -0.177278 -0.274817
O 7.312536 -1.826150 -0.078683
N 0.158844 1.370063 -0.428046
N 0.124531 -0.843234 -0.045955
N -4.209021 4.152704 -0.507311
C -1.199150 1.024605 -0.330707
C -1.195396 -0.377172 -0.105891
C 0.932897 0.227587 -0.239090
C 2.398844 0.192668 -0.246834
C -2.313572 -1.336205 0.001149
C -2.238178 2.060944 -0.408465
C 3.051129 -1.055342 -0.037043
C 3.185093 1.359413 -0.464935
C -2.092633 -2.550583 0.710297
C -3.575557 -1.117645 -0.613881
C 5.201976 0.036965 -0.236949
C 4.456369 -1.137197 -0.036771
C 4.594363 1.284623 -0.466099
C -3.402088 2.024161 0.409217
C -2.094312 3.182194 -1.275304
C -3.128842 -3.496386 0.814026
C -4.600272 -2.079104 -0.498322
C -4.392719 -3.279245 0.221917
C -4.342525 3.071030 0.321786
C -3.087036 4.185425 -1.286898
C 7.420990 0.530492 1.494825
H 0.500648 2.323860 -0.537192
H 2.432156 -1.944408 0.116135
H 2.715269 2.334690 -0.642473
H -1.108474 -2.726648 1.151821
H -3.750659 -0.211978 -1.202385
H 4.997139 -2.082418 0.104986
H 5.192264 2.185021 -0.649039
H -3.562287 1.202473 1.112893
H -1.243966 3.258719 -1.962749
H -5.568301 -1.906006 -0.980651
H -5.190225 -4.022434 0.306539
H -5.243099 3.060701 0.945642
H -2.994441 5.052549 -1.950667
H 8.498104 0.402113 1.675739
H 7.125929 1.590421 1.522307
H 6.822470 -0.084320 2.181752


