%chk=000104008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104008

0 1
 S    2.584400     -0.5799000      0.3858000    
 O    2.794500      -1.000800       1.760200    
 O    2.631000      -1.551800     -0.6928000    
 N    3.650900      0.7025000      2.4800001E-02
 N   -3.832000      0.3467000     -0.1712000    
 C    3.943400      0.8699000      -1.396500    
 C    4.959100      0.2851000     -0.4730000    
 C    1.038600      0.2522000      0.3041000    
 C  -0.1801000     -0.4220000      0.1242000    
 C   -1.381800      0.3233000      6.8899997E-02
 C    1.072300       1.641400      0.4275000    
 C   -2.600600     -0.3510000     -0.1111000    
 C  -0.2324000      -1.819800     -1.9000000E-03
 C   -1.329300       1.721000      0.1954000    
 C  -0.1095000       2.374400      0.3736000    
 C   -2.633900      -1.740300     -0.2351000    
 C   -1.452100      -2.473200     -0.1805000    
 C   -4.586000      0.5974000       1.037200    
 C   -4.336300      0.8249000      -1.439600    
 H    4.040400       1.909900      -1.673200    
 H    3.417400      0.2342000      -2.090000    
 H    5.141600     -0.7782000     -0.4831000    
 H    5.755400      0.9194000     -0.1129000    
 H    1.980400       2.206500      0.6061000    
 H   0.6377000      -2.460300      7.6300003E-02
 H   -2.226200       2.334400      0.1592000    
 H  -8.4399998E-02   3.455400      0.4783000    
 H   -3.577200      -2.263300     -0.3720000    
 H   -1.480700      -3.555700     -0.2665000    
 H   -4.084900       1.347300       1.657800    
 H   -4.695100     -0.3199000       1.626100    
 H   -5.594800      0.9632000      0.8182000    
 H   -4.753400     -5.7000001E-03  -2.018600    
 H   -3.542100       1.292200      -2.032000    
 H   -5.124600       1.573400      -1.306900    


%chk=000104008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104008

0 1
S 2.544291 -0.550265 -0.347254
O 2.904277 -1.350726 1.032046
O 2.536482 -1.413310 -1.734279
N 3.845886 0.945170 -0.553568
N -3.989160 0.493328 0.191887
C 4.974890 0.461016 -1.465326
C 5.182960 0.488197 0.032733
C 0.933817 0.418993 -0.158069
C -0.277893 -0.332594 0.006315
C -1.504014 0.446396 0.094513
C 1.009307 1.807238 -0.173675
C -2.778256 -0.249879 0.203186
C -0.325801 -1.758288 0.128050
C -1.417920 1.875503 0.139251
C -0.198527 2.544346 0.010254
C -2.771063 -1.648790 0.368436
C -1.553903 -2.385957 0.340730
C -5.183663 -0.111546 0.801408
C -4.310158 1.334722 -0.985165
H 5.379717 1.252346 -2.103743
H 4.829753 -0.510322 -1.956356
H 5.183220 -0.463803 0.579546
H 5.741883 1.300340 0.507911
H 1.972815 2.307222 -0.300056
H 0.592034 -2.349957 0.075207
H -2.332561 2.445803 0.324064
H -0.155737 3.636697 0.061855
H -3.714807 -2.191108 0.476730
H -1.591671 -3.474787 0.454812
H -4.925339 -0.570502 1.770108
H -5.664022 -0.884974 0.157542
H -5.930765 0.681880 0.984041
H -4.953316 0.781036 -1.705328
H -3.393251 1.629728 -1.515647
H -4.849806 2.249645 -0.675356


