%chk=000039110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039110

0 1
 S    1.497200       1.958500     -0.5437000    
 O    1.758500      -1.367500       1.042800    
 O   -5.616600      0.2929000     -0.5577000    
 O   -3.621200     -0.1706000      -1.617800    
 N    3.180000       3.882600      -1.181900    
 N    2.839300       3.539600       1.130000    
 C    3.769100      -1.716400     -0.2098000    
 C  -1.7000001E-02  0.2531000       1.008600    
 C   0.4214000      -1.071000      0.9867000    
 C    2.301700      -2.089600     -5.3700000E-02
 C   -2.307500     -0.5032000      0.8725000    
 C    4.414400      -2.446500      -1.384300    
 C   -1.381400      0.5369000      0.9514000    
 C  -0.5046000      -2.111200      0.9076000    
 C   -1.869000      -1.827300      0.8505000    
 C   0.9603000       1.378600       1.093600    
 C   -3.766400     -0.2001000      0.8106000    
 C    5.868000      -2.038400      -1.563100    
 C   -4.290000     -3.2600001E-02 -0.6026000    
 C    2.612400       3.250500     -0.1115000    
 C   -6.248200      0.4817000      -1.828100    
 H    4.304400      -1.944200      0.7204000    
 H    3.854600     -0.6310000     -0.3455000    
 H    2.204700      -3.163000      0.1449000    
 H    1.763100      -1.854700     -0.9810000    
 H    4.360100      -3.529600      -1.224600    
 H    3.865400      -2.226500      -2.307300    
 H   -1.725100       1.568800      0.9650000    
 H  -0.1789000      -3.147700      0.8978000    
 H   -2.580400      -2.646600      0.7888000    
 H   0.5056000       2.217100       1.635000    
 H    1.836000       1.077900       1.680200    
 H   -3.975700      0.7221000       1.366500    
 H   -4.334200      -1.005200       1.292900    
 H    6.453800      -2.272000     -0.6683000    
 H    6.310800      -2.574100      -2.408700    
 H    5.952800     -0.9648000      -1.759100    
 H   -7.297000      0.7354000      -1.652100    
 H   -6.203600     -0.4413000      -2.414000    
 H   -5.773300       1.306300      -2.368200    
 H    3.838700       4.643700      -1.058500    
 H    2.959500       3.607400      -2.132900    
 H    3.510700       4.314100       1.171800    


%chk=000039110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039110

0 1
S 2.018034 2.519101 -0.231297
O 2.188823 -1.053918 0.143334
O -4.608259 1.278511 -0.505844
O -4.584214 -1.042040 -0.692945
N 0.938116 4.848635 -1.004426
N 0.170768 4.026153 1.153836
C 4.140278 -2.282907 -0.583461
C 0.464332 0.410193 0.924540
C 0.816255 -0.852440 0.363597
C 2.617476 -2.336315 -0.444187
C -1.914537 -0.261798 0.875921
C 4.711743 -3.578040 -1.206618
C -0.901737 0.682343 1.168965
C -0.184828 -1.807321 0.062509
C -1.539938 -1.508279 0.319334
C 1.522759 1.423647 1.259967
C -3.381575 0.059682 1.172338
C 6.248204 -3.532749 -1.349189
C -4.241345 -0.002412 -0.083202
C 0.878203 3.951441 0.058985
C -5.409006 1.333686 -1.753986
H 4.588300 -2.115347 0.414894
H 4.412400 -1.410733 -1.208298
H 2.306568 -3.171433 0.218614
H 2.132525 -2.470814 -1.433872
H 4.424345 -4.448415 -0.581820
H 4.252996 -3.742714 -2.203013
H -1.157435 1.665217 1.582028
H 0.075438 -2.778939 -0.367222
H -2.313348 -2.244465 0.072532
H 1.169450 2.155312 2.004921
H 2.472263 0.958811 1.561885
H -3.469670 1.060875 1.621850
H -3.795089 -0.681654 1.881926
H 6.733597 -3.401063 -0.364076
H 6.638982 -4.464247 -1.797634
H 6.561223 -2.689222 -1.992504
H -5.613043 2.402275 -1.909280
H -6.344218 0.761114 -1.634755
H -4.832038 0.911712 -2.593984
H 0.410523 5.718642 -0.973784
H 1.488496 4.641146 -1.836069
H -0.439417 4.860869 1.232692


