%chk=000148828.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148828

0 1
 S    3.471500       1.571100      1.0000000E-03
 O   -4.556500     -0.3247000     -2.6000000E-03
 O   -3.600600       1.651500     -1.3000000E-03
 N   -1.100300      0.5217000      3.9999999E-04
 N    2.431200     -0.7954000     -1.9999999E-04
 N   -3.513200      0.3900000     -1.3000000E-03
 N    4.794600     -0.7363000     -4.3000001E-03
 C  -1.5600000E-02 -0.3159000      1.9000000E-03
 C    1.390300      0.1157000      1.8000000E-03
 C  -0.4829000      -1.611500      2.0000001E-03
 C   -2.252900     -0.2196000      6.0000003E-04
 C   -1.898400      -1.550700      1.4000000E-03
 C    1.761000       1.446300      1.6000000E-03
 C    3.571800     -0.1421000     -1.0000000E-03
 H   -1.062200       1.532100     -5.0000002E-04
 H   0.1205000      -2.509300      2.4999999E-03
 H   -2.578200      -2.392000      1.2000001E-03
 H    1.143800       2.333800      2.4000001E-03
 H    5.652300     -0.1943000     -5.2999998E-03
 H    4.898100      -1.745700     -6.0999999E-03


%chk=000148828-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148828

0 1
S 3.566587 1.691808 -0.000292
O -4.597268 -0.406436 0.000546
O -3.579872 1.662628 0.000342
N -1.126069 0.545722 0.000360
N 2.407310 -0.734451 -0.001198
N -3.547705 0.352003 0.001069
N 4.796614 -0.832962 -0.002296
C -0.002200 -0.270105 0.000003
C 1.368119 0.221393 -0.000260
C -0.453869 -1.618095 -0.000060
C -2.262948 -0.256492 0.000650
C -1.873841 -1.610621 0.000392
C 1.771447 1.552358 0.000200
C 3.598953 -0.163493 -0.001395
H -1.187492 1.565003 0.000340
H 0.209188 -2.479447 -0.000380
H -2.553064 -2.459202 0.000500
H 1.175336 2.462214 0.000944
H 5.687581 -0.346555 -0.002337
H 4.777491 -1.850569 -0.002926


