%chk=000037105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037105

0 1
 S  -6.6000000E-03  -3.258600     -0.5140000    
 O  -0.5435000      -4.441600      0.1476000    
 O   0.2409000      -3.294800      -1.949700    
 O    1.791500     -0.6242000       1.982800    
 O   -3.207300       2.794800      -1.204400    
 N    1.441100      -2.806300      0.2770000    
 N    2.019500      -1.541500     -0.1291000    
 N   -3.589600       1.332500      0.6051000    
 N    3.836900       3.096500     -0.5998000    
 C   -1.060900      -1.906900     -0.1844000    
 C   -1.100700     -0.8231000      -1.061700    
 C   -1.863700      -1.910700      0.9561000    
 C   -2.746300      0.2529000      0.3423000    
 C   -1.943500      0.2568000     -0.7983000    
 C   -2.706500     -0.8308000       1.219500    
 C    2.140300     -0.5356000      0.8086000    
 C    2.733100      0.7332000      0.3165000    
 C   -3.764800       2.498400     -0.1527000    
 C    3.396100       1.548500       1.203900    
 C    2.603200       1.059000      -1.013400    
 C   -4.773800       3.427000      0.4750000    
 C    3.931100       2.721000      0.6955000    
 C    3.173500       2.253600      -1.422600    
 H  -0.4801000     -0.7966000      -1.953100    
 H   -1.843300      -2.741300       1.656100    
 H   -1.917800       1.059600      -1.521900    
 H   -3.325600     -0.8466000       2.112900    
 H    1.587700      -3.084000       1.255100    
 H    2.355300      -1.495400      -1.084600    
 H   -4.142700       1.254400       1.456100    
 H    3.512000       1.305600       2.253800    
 H    2.065600      0.4597000      -1.737700    
 H   -5.749100       2.934500      0.5231000    
 H   -4.864000       4.336700     -0.1251000    
 H   -4.451000       3.698900       1.484000    
 H    4.468500       3.410800       1.338000    
 H    3.103500       2.577600      -2.455800    


%chk=000037105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037105

0 1
S 0.200180 -2.095905 -0.321032
O -0.275773 -3.612621 -0.701504
O 1.162976 -1.249641 -1.366661
O 1.934071 0.743353 1.286882
O -4.250585 3.203964 1.087876
N 1.663081 -2.037988 1.437152
N 2.705731 -1.395183 0.835236
N -4.953412 1.007027 0.643936
N 5.912554 1.548419 -1.893621
C -1.369543 -1.096464 -0.007418
C -1.273748 0.274668 0.282880
C -2.593224 -1.785239 -0.077110
C -3.718024 0.340447 0.432984
C -2.459921 1.004362 0.504707
C -3.772942 -1.052445 0.141474
C 2.761489 0.018125 0.661293
C 3.853965 0.523000 -0.218873
C -5.178978 2.357878 0.947567
C 4.527879 1.722859 0.118480
C 4.200755 -0.141058 -1.423834
C -6.649122 2.740179 1.090157
C 5.547536 2.187329 -0.739935
C 5.230899 0.409506 -2.219149
H -0.302352 0.779479 0.340736
H -2.611455 -2.855053 -0.308074
H -2.428241 2.070793 0.732404
H -4.741466 -1.564532 0.084593
H 1.150683 -1.292700 1.979416
H 3.363915 -2.000107 0.337512
H -5.787117 0.421243 0.559475
H 4.257355 2.271188 1.025695
H 3.637296 -1.014322 -1.769698
H -6.903296 3.479512 0.310558
H -6.795115 3.234949 2.065137
H -7.348570 1.889961 1.012893
H 6.100117 3.104354 -0.509024
H 5.521402 -0.065337 -3.162409


