%chk=000158638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158638

0 1
 S    2.806500       1.416700      1.1000000E-03
 O   -3.757600      0.4059000     -6.0000003E-04
 O   -2.973700      -1.644600      6.0000003E-04
 N    3.291100     -0.1670000     -6.9999998E-04
 N   -2.798200     -0.4024000      1.9999999E-04
 N    2.262600      -2.295900     -6.9999998E-04
 C   0.9295000     -0.2828000      3.0000001E-04
 C    1.115200       1.101400      3.0000001E-04
 C  -0.3911000     -0.7834000      6.0000003E-04
 C   -1.471400      0.1049000      1.9999999E-04
 C    2.205400     -0.9335000     -1.9999999E-04
 C   3.8500000E-02   2.001700     -3.0000001E-04
 C   -1.256900       1.478900     -7.9999998E-04
 H  -0.5457000      -1.859000      8.9999998E-04
 H   0.2011000       3.075000     -6.0000003E-04
 H   -2.082000       2.187800     -1.4000000E-03
 H    1.441500      -2.892600     -3.0000001E-04
 H    3.149900      -2.789500     -1.0000000E-03


%chk=000158638-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158638

0 1
S 2.884405 1.521289 -0.000201
O -3.815409 0.423480 0.000283
O -2.986439 -1.701993 0.000333
N 3.340199 -0.251513 -0.000096
N -2.835547 -0.417368 -0.000251
N 2.287881 -2.363934 -0.000075
C 0.925536 -0.265260 -0.000163
C 1.125475 1.150208 -0.000195
C -0.383545 -0.787231 -0.000180
C -1.458948 0.120735 -0.000230
C 2.208159 -0.987024 -0.000114
C 0.034192 2.049632 -0.000269
C -1.270077 1.528981 -0.000292
H -0.601432 -1.859384 -0.000147
H 0.195300 3.131226 -0.000330
H -2.146678 2.181354 -0.000348
H 1.457015 -2.946841 -0.000057
H 3.204612 -2.804757 -0.000070


