%chk=000001492.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001492

0 1
 S   0.5456000       2.110700       1.350700    
 O  -4.8099998E-02   1.060600      -2.496900    
 O    1.339300       3.324400       1.398500    
 O  -0.1474000       1.655700       2.540900    
 O    4.146000      -2.219300     -0.4001000    
 O   -4.328200      -2.412200      0.4993000    
 O   -3.976300     -0.8606000       2.011800    
 N  -0.5544000       2.213600      2.9899999E-02
 N   -3.748400      -1.369500      0.8877000    
 C    1.626400      0.8115000      0.8250000    
 C   -1.220500       1.025700     -0.4044000    
 C  -0.9506000      0.4775000      -1.658600    
 C   -2.147600      0.4136000      0.4392000    
 C    1.320600     -0.4955000       1.158800    
 C    2.755200       1.129000      9.1100000E-02
 C   -2.804700     -0.7463000      2.8899999E-02
 C   -1.607800     -0.6825000      -2.068700    
 C    2.172300      -1.519800      0.7450000    
 C    3.606800      0.1047000     -0.3228000    
 C    3.315300      -1.219600      4.1999999E-03
 C   -2.535000      -1.294300      -1.225000    
 C  -0.5463000       2.042700      -3.402800    
 C    3.787700      -3.550200     -3.1500001E-02
 H  -0.2734000       2.849400     -0.7273000    
 H   -2.362400      0.8643000       1.404800    
 H   0.4375000     -0.7498000       1.736500    
 H    2.994600       2.152200     -0.1811000    
 H   -1.401400      -1.115600      -3.043700    
 H    1.886000      -2.525500       1.033200    
 H    4.494700      0.3442000     -0.9016000    
 H   -3.027300      -2.196900      -1.577900    
 H   -1.099500       2.826000      -2.875300    
 H   -1.191000       1.571600      -4.151400    
 H   0.3054000       2.500100      -3.913600    
 H    2.836400      -3.850700     -0.4838000    
 H    3.790100      -3.681100       1.056000    
 H    4.557600      -4.215800     -0.4351000    


%chk=000001492-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001492

0 1
S 1.235594 1.955410 -0.017785
O -1.796595 2.793526 -2.467685
O 2.229243 3.177560 -0.429104
O 0.051862 2.128915 1.091958
O 4.530753 -2.880897 1.440520
O -3.454304 -3.084824 -0.583632
O -1.197808 -3.120974 -0.242534
N 0.462973 1.393286 -1.782502
N -2.285665 -2.531516 -0.622682
C 2.235692 0.455197 0.456268
C -0.808403 0.784016 -1.678831
C -2.010323 1.492245 -2.036087
C -0.916261 -0.549219 -1.227693
C 1.686528 -0.437421 1.389680
C 3.503071 0.276336 -0.133231
C -2.187979 -1.146904 -1.122718
C -3.274913 0.862166 -1.952617
C 2.433857 -1.578927 1.748208
C 4.245705 -0.857820 0.231440
C 3.710962 -1.789636 1.163994
C -3.369670 -0.461859 -1.486323
C -2.960649 3.631169 -2.794744
C 4.035769 -3.894481 2.382617
H 0.409233 2.320419 -2.252731
H -0.019814 -1.119165 -0.971370
H 0.706209 -0.237632 1.834012
H 3.897169 1.010117 -0.842695
H -4.185962 1.398752 -2.230620
H 2.012694 -2.286066 2.467205
H 5.236314 -1.048578 -0.190379
H -4.333021 -0.970052 -1.397865
H -3.625889 3.732004 -1.917965
H -3.515991 3.212002 -3.654050
H -2.539000 4.610175 -3.060720
H 3.101215 -4.357517 2.013851
H 3.871650 -3.457936 3.386017
H 4.832954 -4.649570 2.430695


