%chk=000096970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096970

0 1
 S    3.055600      -1.345000      7.9999998E-04
 S   -3.851500       2.356900     -4.4000000E-03
 O   -2.437400      -2.579600     -1.9000000E-03
 N   -1.276900       1.404100      2.6000000E-03
 N   -3.035600     -0.2961000     -1.1000000E-03
 N   0.3851000      -1.687500      1.4000000E-03
 N   0.9987000      0.4510000      3.3000000E-03
 C  -0.7688000     -0.9569000      1.1000000E-03
 C  -0.3689000      0.3490000      2.4000001E-03
 C   -2.123400      -1.392300     -3.0000001E-04
 C   -2.682000       1.117400     -6.0000003E-04
 C    1.423500     -0.7948000      2.6000000E-03
 C  -0.7620000       2.780600      3.8000001E-03
 C    4.029700      0.2021000      3.0000001E-04
 C   -4.455600     -0.6751000     -2.9000000E-03
 C    5.522700     -0.1066000     -1.3000000E-03
 C    6.346600       1.172800     -5.7000001E-03
 H   0.4621000      -2.696000      3.0000001E-04
 H   -1.115300       3.296300     -0.8946000    
 H   0.3310000       2.807400      1.4500000E-02
 H   -1.132000       3.302000      0.8919000    
 H    3.764000      0.7858000      0.8882000    
 H    3.762200      0.7859000     -0.8869000    
 H   -4.938800     -0.2635000      0.8887000    
 H   -4.601900      -1.758100     -1.1000000E-03
 H   -4.935300     -0.2668000     -0.8979000    
 H    5.791300     -0.6958000      0.8838000    
 H    5.788800     -0.6999000     -0.8844000    
 H    6.134200       1.779300      0.8804000    
 H    7.415100      0.9354000     -6.6999998E-03
 H    6.131600       1.774800     -0.8944000    


%chk=000096970-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096970

0 1
S 3.158168 -1.507561 -0.001867
S -3.750042 2.386262 -0.001417
O -2.612618 -2.617393 0.000186
N -1.236898 1.341262 -0.000133
N -3.030373 -0.265704 0.000624
N 0.382665 -1.821697 -0.000872
N 1.049588 0.359552 -0.001166
C -0.784524 -1.044845 -0.000493
C -0.340077 0.282550 -0.000600
C -2.163773 -1.429400 0.000073
C -2.621905 1.088977 0.000673
C 1.455020 -0.940140 -0.001201
C -0.734066 2.731586 -0.001057
C 4.036590 0.184991 -0.000976
C -4.485980 -0.545001 0.000780
C 5.555275 -0.048361 -0.001212
C 6.316285 1.297703 -0.000749
H 0.406721 -2.841359 -0.000851
H -1.103501 3.263127 -0.893442
H 0.364885 2.684840 0.000908
H -1.107068 3.265293 0.888477
H 3.691976 0.723438 0.895948
H 3.691844 0.724442 -0.897242
H -4.953802 -0.095990 0.892153
H -4.605871 -1.638189 0.001517
H -4.953839 -0.097396 -0.891306
H 5.844782 -0.639741 0.888640
H 5.844626 -0.638996 -0.891612
H 6.067572 1.898418 0.893528
H 7.407495 1.127153 -0.000747
H 6.067644 1.898977 -0.894665


