%chk=000033285.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033285

1 1
 S   -2.826200       2.570900      -1.297000    
 O   -1.251800      0.3255000      -1.839800    
 O   0.1310000       1.235300       1.033800    
 N    4.435000     -7.0900001E-02  3.7000000E-03
 N   0.7048000     -0.6268000     -0.2116000    
 C    3.035400      4.5499999E-02 -0.5826000    
 C    4.443500      0.5009000       1.414200    
 C    5.414600      0.7053000     -0.8644000    
 C    4.846400      -1.535600      4.7800001E-02
 C    2.055300     -0.7411000      0.2676000    
 C    5.837000      0.3823000       1.991400    
 C    5.401700      0.1324000      -2.264800    
 C   -1.566600      0.2712000     -0.4376000    
 C  -0.1735000      0.3701000      0.2140000    
 C   -2.295700      -1.043400     -0.1572000    
 C   -2.442600       1.480600     -7.1599998E-02
 C   -3.062200      -1.598900      -1.156500    
 C   -2.158100      -1.622600       1.083900    
 C   -2.943000       1.767200       1.140300    
 C   -3.704100       2.970400       1.084000    
 C   -3.727100      -2.798100     -0.9010000    
 C   -2.822900      -2.822100       1.339300    
 C   -3.723300       3.511700     -0.1826000    
 C   -3.607400      -3.409700      0.3468000    
 H    2.774400       1.109600     -0.6269000    
 H    3.022100     -0.3659000      -1.595700    
 H    4.109300       1.543000       1.368700    
 H    3.774700     -7.6200001E-02   2.054800    
 H    5.123200       1.761300     -0.8562000    
 H    6.424500      0.5979000     -0.4608000    
 H    4.463400      -2.051000     -0.8387000    
 H    5.937900      -1.612200      6.8499997E-02
 H    4.428000      -2.004900      0.9441000    
 H    2.276200      -1.812500      0.2587000    
 H    2.025700     -0.4143000       1.307500    
 H    5.798700      0.6846000       3.045500    
 H    6.244100     -0.6313000       1.986900    
 H    6.554400       1.063000       1.525400    
 H    6.203100      0.6142000      -2.839000    
 H    5.601100     -0.9402000      -2.317900    
 H    4.483500      0.3583000      -2.813200    
 H   0.3862000      -1.325200     -0.8755000    
 H  -0.8878000     -0.5293000      -2.124500    
 H   -3.186900      -1.134600      -2.129500    
 H   -1.561400      -1.177300       1.873400    
 H   -2.795200       1.184700       2.039900    
 H   -4.210800       3.416900       1.929700    
 H   -4.341600      -3.253700      -1.672100    
 H   -2.732000      -3.297200       2.311800    
 H   -4.220800       4.415000     -0.5065000    
 H   -4.126300      -4.342700      0.5463000    


%chk=000033285-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033285

1 1
S -1.126077 1.719797 -2.182533
O -1.458951 -1.246590 -2.008987
O 0.539137 -0.583569 0.948905
N 4.165937 0.180599 -0.014161
N 0.911555 -1.383168 -1.189731
C 2.950231 -0.025983 -0.947053
C 3.638671 0.233381 1.458489
C 4.809943 1.559785 -0.336905
C 5.179910 -0.936868 -0.204212
C 2.349950 -1.464092 -0.944409
C 4.714480 0.089364 2.538579
C 5.575469 1.648603 -1.661817
C -1.394596 -0.685242 -0.623347
C 0.089215 -0.898549 -0.197741
C -2.395259 -1.416212 0.279888
C -1.617885 0.816639 -0.685850
C -3.775090 -1.100897 0.156826
C -2.003012 -2.471761 1.138780
C -2.040332 1.688477 0.305362
C -2.004709 3.076733 -0.087763
C -4.743846 -1.835145 0.873393
C -2.973135 -3.200864 1.860301
C -1.537704 3.271268 -1.377107
C -4.345311 -2.888780 1.727824
H 2.182064 0.683258 -0.599180
H 3.267514 0.258546 -1.962773
H 3.121142 1.204872 1.540505
H 2.859058 -0.540617 1.545378
H 3.975442 2.282226 -0.315073
H 5.480709 1.783520 0.509135
H 5.381365 -1.063024 -1.277860
H 6.111860 -0.678423 0.318426
H 4.776198 -1.871142 0.210833
H 2.812804 -2.092884 -1.721681
H 2.507678 -1.951776 0.035990
H 4.213343 0.206965 3.515592
H 5.192133 -0.904490 2.543606
H 5.499375 0.864119 2.488767
H 5.927230 2.689685 -1.771570
H 6.470205 1.005172 -1.687088
H 4.951280 1.430593 -2.544863
H 0.468242 -1.656190 -2.074384
H -2.405452 -1.415219 -2.244766
H -4.091094 -0.270693 -0.485952
H -0.944066 -2.718429 1.262839
H -2.367890 1.344614 1.289064
H -2.327097 3.895781 0.559370
H -5.804335 -1.582932 0.769834
H -2.659725 -4.011532 2.526584
H -1.443248 4.198610 -1.940034
H -5.095428 -3.457436 2.287370


