%chk=000025570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025570

0 1
 S    3.473500       2.935400     -0.2927000    
 O    3.714800      -2.923500      0.3482000    
 O    4.754600       3.388000     -0.8164000    
 O    2.243800       3.278100     -0.9933000    
 O   -3.232500      -1.997400     -0.8670000    
 O  -0.6106000      -3.957500     -0.9512000    
 N    1.212800      -1.676500      2.5500000E-02
 N    3.335100       3.436200       1.335000    
 N   2.6699999E-02  -1.061100     -0.1423000    
 N   -2.530600      1.9600000E-02  0.1606000    
 C    3.538200       1.200800     -0.1025000    
 C    2.405800     -0.9365000      3.8500000E-02
 C    2.360600      0.4534000     -0.1129000    
 C    4.767900      0.5625000      5.9099998E-02
 C    3.642200      -1.570600      0.2003000    
 C    4.819900     -0.8231000      0.2105000    
 C   -1.034500      -1.805600     -0.1440000    
 C   -3.684800      0.8359000      0.1530000    
 C   -2.420600      -1.262100     -0.3320000    
 C   -3.617900       2.111000      0.6914000    
 C   -4.860500      0.3447000     -0.3917000    
 C  -0.7934000      -3.274800      4.4300001E-02
 C   -4.756800       2.916400      0.6845000    
 C   -5.999300       1.150100     -0.3985000    
 C   -5.947500       2.436000      0.1396000    
 C  -0.8069000      -3.779400       1.453800    
 H    1.409800      0.9666000     -0.2318000    
 H    5.696900       1.125300      7.6600000E-02
 H    5.784800      -1.307000      0.3369000    
 H    1.313400      -2.681000      0.1011000    
 H    4.147900       3.896200       1.763100    
 H    2.432100       3.818800       1.641000    
 H   -1.701100      0.4390000      0.5756000    
 H   -2.695600       2.495000       1.118300    
 H   -4.972700     -0.6393000     -0.8246000    
 H    4.646900      -3.183000      0.4469000    
 H   -4.716600       3.917600       1.103500    
 H   -6.927200      0.7771000     -0.8225000    
 H   -6.834200       3.063000      0.1343000    
 H  -8.6700000E-02  -3.229000       2.063700    
 H  -0.5327000      -4.837900       1.462300    
 H   -1.811200      -3.670900       1.871000    


%chk=000025570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025570

0 1
S 2.877173 3.224601 -0.154391
O 3.897982 -2.723459 0.094297
O 3.971740 3.938461 -1.122878
O 1.265536 3.360908 -0.373586
O -3.362949 -2.234669 0.641753
O 0.456964 -4.178843 0.539983
N 1.377375 -1.807188 0.261285
N 3.294409 3.821426 1.534966
N 0.102720 -1.384746 0.291743
N -2.232499 -0.211006 0.217759
C 3.258593 1.388590 -0.063139
C 2.411106 -0.861950 0.127667
C 2.166963 0.527944 0.084764
C 4.589973 0.957176 -0.177204
C 3.753091 -1.335514 0.032335
C 4.828480 -0.433255 -0.125077
C -0.928022 -2.242733 0.431013
C -3.283691 0.740642 0.169039
C -2.290280 -1.577752 0.442360
C -2.918558 2.091401 -0.092101
C -4.650211 0.403669 0.367031
C -0.746032 -3.713657 0.563573
C -3.908058 3.092095 -0.154374
C -5.627374 1.420330 0.301598
C -5.270550 2.763668 0.042552
C -1.909098 -4.662821 0.716383
H 1.147904 0.915941 0.143636
H 5.405512 1.671492 -0.318394
H 5.853191 -0.813818 -0.209451
H 1.545904 -2.842083 0.339416
H 3.845810 4.689510 1.427413
H 2.421050 3.957432 2.070791
H -1.277743 0.141701 0.078307
H -1.864203 2.356074 -0.249639
H -4.922465 -0.634605 0.564749
H 4.840699 -3.009717 0.017498
H -3.613526 4.127275 -0.358728
H -6.679698 1.155242 0.454717
H -6.039268 3.542231 -0.007039
H -2.503011 -4.416857 1.613656
H -1.515871 -5.689820 0.777008
H -2.615265 -4.562818 -0.126091


