%chk=000040087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040087

0 1
 S    4.024900       1.421200      7.9999998E-04
 O   0.2743000      -1.305100      1.0000000E-03
 N  -0.8519000      0.7471000      1.9999999E-04
 N    1.455300      0.7192000     -3.0000001E-04
 N    4.711500     -0.9886000     -6.9999998E-04
 N    5.210200      0.2375000      9.9999997E-05
 C   -2.195100      0.3697000      6.0000003E-04
 C   -3.193400       1.343800     -9.9999997E-05
 C   -2.539500     -0.9819000      6.0000003E-04
 C   0.3003000     -7.8900002E-02  1.9999999E-04
 C   -4.536300      0.9663000     -6.0000003E-04
 C   -3.882300      -1.359500       0.000000    
 C   -4.880700     -0.3853000     -6.0000003E-04
 C    2.777200      0.2677000     -5.0000002E-04
 C    3.325600     -0.9734000     -6.0000003E-04
 H  -0.6791000       1.749400     -3.0000001E-04
 H   -2.939600       2.400800     -3.0000001E-04
 H   -1.828300      -1.795300      1.0000000E-03
 H    1.344200       1.729000     -3.0000001E-04
 H   -5.313700       1.724700     -1.1000000E-03
 H   -4.152100      -2.411600     -9.9999997E-05
 H   -5.926200     -0.6793000     -1.1000000E-03
 H    2.800000      -1.917900     -1.0000000E-03


%chk=000040087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040087

0 1
S 4.145862 1.576790 -0.000241
O 0.385585 -1.225857 0.000029
N -0.835112 0.796279 -0.000020
N 1.499375 0.853901 -0.000013
N 4.586909 -1.113916 -0.000067
N 5.412754 -0.173517 -0.000050
C -2.184265 0.326895 -0.000124
C -3.205110 1.315460 -0.000275
C -2.532020 -1.049353 -0.000076
C 0.332642 0.033425 0.000083
C -4.561707 0.934812 -0.000375
C -3.896454 -1.412245 -0.000181
C -4.916857 -0.434260 -0.000329
C 2.818161 0.395777 -0.000052
C 3.216588 -0.962548 -0.000009
H -0.743713 1.814773 -0.000023
H -2.938602 2.381075 -0.000315
H -1.746230 -1.806144 0.000044
H 1.384528 1.869219 -0.000107
H -5.338735 1.706802 -0.000489
H -4.160337 -2.475598 -0.000142
H -5.970537 -0.731808 -0.000408
H 2.552575 -1.820361 0.000041


