%chk=000002066.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002066

0 1
 S  -0.9349000       1.735900      -1.445500    
 O   -4.541300      0.5849000     -0.3718000    
 O   -3.907200       1.883500       1.375200    
 O   -2.095700      -2.576200       1.010900    
 N   -2.344200     -0.7973000     -0.4706000    
 C    3.819200       1.058800     -0.1910000    
 C    2.601200       1.959300     -9.6199997E-02
 C    3.881800     -1.6200000E-02  0.9025000    
 C   -2.323200      0.2717000      0.4962000    
 C   -1.142900       1.220900      0.2748000    
 C    1.744400       2.042500      -1.133300    
 C   0.4830000       2.843200      -1.222000    
 C    2.711000     -0.9596000      0.8488000    
 C    2.447700       2.698900       1.204300    
 C    2.611200      -2.123800      0.1795000    
 C   -3.652100       1.006300      0.5590000    
 C    1.406700      -3.021200      0.1692000    
 C    3.769900      -2.633300     -0.6362000    
 C   -2.228100      -2.135500     -0.1278000    
 C   -2.306600      -3.042700      -1.326300    
 H    3.875200      0.5762000      -1.175300    
 H    4.715700       1.687600     -0.1148000    
 H    3.909400      0.4450000       1.897500    
 H    4.830000     -0.5592000      0.8244000    
 H   -2.211500     -0.1763000       1.492100    
 H   -1.246900       2.109200      0.9071000    
 H  -0.2276000      0.7009000      0.5767000    
 H    1.977700       1.465600      -2.028600    
 H   0.5459000       3.486900      -2.105900    
 H   0.3038000       3.501200     -0.3699000    
 H    1.842800     -0.6387000       1.423100    
 H    2.095000       2.026300       1.992000    
 H    1.748700       3.535800       1.143400    
 H    3.409300       3.122200       1.514200    
 H   -2.491300     -0.5493000      -1.444900    
 H   0.9905000      -3.092400     -0.8404000    
 H    1.674200      -4.025900      0.5119000    
 H   0.6252000      -2.641500      0.8336000    
 H    4.203700      -3.517600     -0.1577000    
 H    4.570000      -1.906900     -0.7926000    
 H    3.421100      -2.923800      -1.633900    
 H   -3.342700      -3.101600      -1.670400    
 H   -1.958500      -4.042800      -1.053400    
 H   -1.674700      -2.662400      -2.134100    
 H   -5.393600       1.066600     -0.3095000    


%chk=000002066-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002066

0 1
S -1.487602 2.505252 0.453775
O -4.240545 -0.383366 0.491984
O -3.272761 -0.277409 2.598520
O -1.084504 -2.501771 -1.061305
N -1.901466 -0.337968 -0.823634
C 2.799793 0.622953 -1.701591
C 2.147207 1.648580 -0.778728
C 3.389920 -0.633586 -0.988182
C -1.792489 -0.326488 0.628285
C -0.907700 0.837983 1.149200
C 0.922153 2.171165 -1.098483
C 0.149913 3.195852 -0.329365
C 2.352437 -1.471331 -0.266325
C 2.960069 2.051187 0.437727
C 2.402079 -1.955481 1.010425
C -3.146032 -0.323245 1.355772
C 1.281764 -2.832358 1.551024
C 3.540786 -1.712445 1.988205
C -1.549307 -1.437937 -1.583037
C -1.749338 -1.292566 -3.086666
H 2.066720 0.295707 -2.464575
H 3.632362 1.115069 -2.249901
H 4.203792 -0.325596 -0.306707
H 3.872006 -1.251927 -1.775153
H -1.298800 -1.279413 0.909772
H -0.951481 0.883044 2.247871
H 0.127710 0.682179 0.803526
H 0.425282 1.796117 -2.005523
H -0.245549 3.992945 -0.982728
H 0.722483 3.655001 0.489286
H 1.471023 -1.742147 -0.868830
H 3.037727 1.205179 1.147465
H 2.533202 2.908171 0.982704
H 3.993813 2.316881 0.142581
H -2.247199 0.520124 -1.260932
H 1.674399 -3.821449 1.862104
H 0.826018 -2.383031 2.457884
H 0.490164 -2.996572 0.799835
H 3.155314 -1.293470 2.939253
H 4.315700 -1.029872 1.601090
H 4.036648 -2.669139 2.247758
H -2.492673 -2.036532 -3.422209
H -0.801937 -1.523239 -3.603111
H -2.092874 -0.288202 -3.387926
H -5.076929 -0.391646 1.033163


