%chk=000052957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052957

0 1
 S   -4.463500      0.6670000      0.1322000    
 S   -1.511100      0.9033000      0.3694000    
 O   -5.449500     -0.3777000      0.3901000    
 O   -4.397100       1.822500       1.021600    
 O    3.759500      -1.434700       1.075800    
 O    1.575900      -2.543100     -0.3453000    
 N    3.470500      0.1205000     -0.6592000    
 N   0.7845000     -0.3672000      0.1749000    
 N   -2.627700      -1.311900     -0.2730000    
 N   -1.267900      -1.569000     -0.2583000    
 N   -4.672000       1.228800      -1.470100    
 C    4.778800      0.7320000     -0.6422000    
 C    4.846700       1.931400      0.2955000    
 C    3.852600       3.023400     -7.2999999E-02
 C   -2.890700     -6.0300000E-02  3.6600001E-02
 C    3.106500     -0.8920000      0.1989000    
 C  -0.6003000     -0.5015000      5.8800001E-02
 C    1.704900      -1.371500     -3.2600001E-02
 H    5.008700       1.034900      -1.669100    
 H    5.517300     -1.7100001E-02 -0.3365000    
 H    4.653300       1.610300       1.326000    
 H    5.860800       2.346200      0.2717000    
 H    2.797500      0.4592000      -1.340900    
 H    2.819200       2.677500      2.8999999E-02
 H    3.981200       3.886700      0.5877000    
 H    4.004200       3.360200      -1.103400    
 H    1.109000      0.5596000      0.4388000    
 H   -5.639400       1.346500      -1.797400    
 H   -4.056300       1.991800      -1.779700    


%chk=000052957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052957

0 1
S -5.358548 -0.570501 -0.033939
S -2.403072 -0.330174 1.208047
O -5.915897 -1.545611 -1.198049
O -5.592634 -0.854150 1.547805
O 2.472083 0.215912 1.693546
O 1.430012 0.250845 -1.748940
N 3.769304 0.427402 -0.266221
N 0.232700 0.019956 0.306600
N -2.922989 -0.228364 -1.424091
N -1.528184 -0.074494 -1.352595
N -5.877648 1.154159 -0.314540
C 5.088033 0.576578 0.374507
C 5.660979 2.008688 0.243403
C 5.910569 2.445184 -1.216431
C -3.486004 -0.366043 -0.245170
C 2.609387 0.279471 0.426126
C -1.084542 -0.101973 -0.086603
C 1.367467 0.183277 -0.498235
H 5.785036 -0.150406 -0.085502
H 4.959639 0.308513 1.437253
H 4.972408 2.717318 0.741238
H 6.612759 2.036647 0.808867
H 3.681769 0.463991 -1.288600
H 4.969948 2.491732 -1.796533
H 6.365175 3.450874 -1.252940
H 6.598244 1.747919 -1.731653
H 0.491169 0.001711 1.310860
H -6.142206 1.294812 -1.301866
H -6.609357 1.402525 0.369954


