%chk=000017867.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017867

0 1
 S   1.2000001E-03 -0.4553000     -2.2000000E-03
 O    2.995200     -0.9383000     -2.7999999E-03
 O   -2.995600     -0.9393000     -5.0000002E-04
 N    3.567900       1.254500      1.8000000E-03
 N   -3.567300       1.253800     -6.0000003E-04
 C    1.229800      0.7371000     -2.0000001E-03
 C   -1.229400      0.7354000     -1.7000000E-03
 C    2.599200      0.3653000     -3.9999999E-04
 C   -2.598800      0.3643000     -1.5000000E-03
 C    4.358400     -0.8595000     -8.9999998E-04
 C   -4.358700     -0.8598000      1.9999999E-04
 C    4.705100      0.4835000      1.8000000E-03
 C   -4.704900      0.4834000      1.9999999E-04
 C   0.7118000       2.013500     -1.4000000E-03
 C  -0.7129000       2.012500     -1.2000001E-03
 C    5.266000      -1.911400     -1.8000000E-03
 C   -5.266800      -1.911300      1.0000000E-03
 C    6.063100      0.8329000      3.5999999E-03
 C   -6.062700      0.8333000      1.3000000E-03
 C    6.616400      -1.546100      1.9999999E-04
 C   -6.617100      -1.545300      2.0000001E-03
 C    7.009600     -0.2020000      2.7999999E-03
 C   -7.009600     -0.2011000      2.0999999E-03
 H    1.313900       2.913900     -6.9999998E-04
 H   -1.316100       2.912200     -6.0000003E-04
 H    4.951400      -2.947500     -4.0000002E-03
 H   -4.952700      -2.947600      1.0000000E-03
 H    6.379000       1.870800      5.5999998E-03
 H   -6.378200       1.871300      1.5000000E-03
 H    7.377300      -2.323000     -3.9999999E-04
 H   -7.378300      -2.321900      2.7000001E-03
 H    8.068500      4.4700000E-02  4.1999999E-03
 H   -8.068400      4.6100002E-02  3.0000000E-03


%chk=000017867-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017867

0 1
S -0.000150 -0.436181 0.000149
O 3.010069 -0.881699 -0.000074
O -3.010337 -0.881510 0.000447
N 3.717517 1.338133 0.000407
N -3.717687 1.338355 0.000793
C 1.269158 0.850380 0.000423
C -1.269346 0.850486 0.000428
C 2.666702 0.518237 0.000373
C -2.666909 0.518419 0.000468
C 4.424279 -0.873315 0.000058
C -4.424546 -0.873060 0.000409
C 4.850333 0.488130 0.000398
C -4.850543 0.488402 0.000569
C 0.711796 2.134203 0.000518
C -0.711882 2.134262 0.000615
C 5.298530 -1.964701 -0.000104
C -5.298848 -1.964407 0.000246
C 6.228896 0.792288 0.000587
C -6.229091 0.792623 0.000574
C 6.678179 -1.643791 0.000097
C -6.678482 -1.643435 0.000249
C 7.132180 -0.293307 0.000431
C -7.132424 -0.292930 0.000414
H 1.335595 3.030098 0.000633
H -1.335603 3.030212 0.000790
H 4.942303 -2.997776 -0.000373
H -4.942668 -2.997498 0.000130
H 6.572288 1.830296 0.000813
H -6.572434 1.830647 0.000733
H 7.413099 -2.455527 -0.000031
H -7.413441 -2.455136 0.000144
H 8.209281 -0.096110 0.000547
H -8.209516 -0.095687 0.000439


