%chk=000027074.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027074

0 1
 S  -0.4648000       1.859100      0.8828000    
 O   -1.176900      -1.560300     -4.6999998E-02
 O   -2.004100      -1.211100       2.072600    
 N    1.131200      -4.419900     -0.3325000    
 C   0.3337000      -3.271600     -0.7619000    
 C  -0.4316000      -2.680600      0.4114000    
 C   -2.651000      0.2307000      0.2873000    
 C   -2.092700       1.492900      0.2362000    
 C   0.5780000       1.555400     -0.5696000    
 C    1.851600      -4.995200      -1.467700    
 C    2.066700      -4.027200      0.7208000    
 C    2.034300       1.798800     -0.2833000    
 C   -1.923100     -0.9139000      0.8909000    
 C   -3.911700     -3.0999999E-02 -0.2173000    
 C   -2.820900       2.533600     -0.3403000    
 C   -4.639900       1.009800     -0.7938000    
 C   -4.094500       2.292100     -0.8554000    
 C    2.825200      0.7554000      0.1800000    
 C    2.570200       3.063800     -0.4854000    
 C    4.175800      0.9812000      0.4459000    
 C    3.920700       3.289700     -0.2196000    
 C    4.723500       2.248200      0.2460000    
 H  -0.3888000      -3.577700      -1.529400    
 H   0.9564000      -2.493500      -1.224500    
 H   0.2388000      -2.314300       1.194900    
 H   -1.115100      -3.425400      0.8371000    
 H   0.2482000       2.202000      -1.391400    
 H   0.4362000      0.5250000     -0.9148000    
 H    2.403300      -5.890800      -1.160900    
 H    2.561600      -4.286500      -1.909600    
 H    1.150700      -5.312900      -2.247700    
 H    1.559600      -3.856900       1.675500    
 H    2.651600      -3.139000      0.4548000    
 H    2.775300      -4.840000      0.9232000    
 H   -4.344100      -1.026500     -0.1732000    
 H   -2.414800       3.540700     -0.3991000    
 H   -5.631500      0.8217000      -1.194800    
 H   -4.661500       3.102300      -1.304500    
 H    2.408500     -0.2353000      0.3398000    
 H    1.954100       3.882500     -0.8468000    
 H    4.800700      0.1703000      0.8086000    
 H    4.347300       4.276300     -0.3748000    
 H    5.775000       2.424200      0.4531000    


%chk=000027074-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027074

0 1
S -0.482913 1.600221 0.899781
O -1.077315 -1.403538 0.026016
O -2.965814 -2.014431 1.240892
N 1.423098 -4.186527 -0.270884
C 0.706774 -2.930750 -0.587468
C -0.469515 -2.724104 0.375365
C -2.900060 0.176503 0.180692
C -2.191000 1.411466 0.213935
C 0.556745 1.287238 -0.699496
C 2.130156 -4.752343 -1.438712
C 2.310842 -4.068007 0.904582
C 2.008839 1.581790 -0.421168
C -2.339454 -1.159767 0.568448
C -4.269314 0.170503 -0.202153
C -2.858167 2.600904 -0.169431
C -4.918758 1.357484 -0.594529
C -4.207777 2.578993 -0.585474
C 2.808495 0.659853 0.305846
C 2.604123 2.786140 -0.877620
C 4.169681 0.931732 0.562558
C 3.967513 3.059329 -0.625802
C 4.755048 2.132101 0.094894
H 0.305900 -3.001234 -1.614601
H 1.381804 -2.038643 -0.560241
H -0.158896 -2.682905 1.434381
H -1.224083 -3.519963 0.262234
H 0.140408 1.949207 -1.475267
H 0.368025 0.234293 -0.957067
H 2.562362 -5.732229 -1.167774
H 2.960513 -4.102760 -1.814730
H 1.416903 -4.913035 -2.266058
H 1.741923 -3.739221 1.790841
H 3.151796 -3.344870 0.743554
H 2.747774 -5.054954 1.137456
H -4.810385 -0.781048 -0.179054
H -2.309403 3.546620 -0.116970
H -5.971408 1.331025 -0.895301
H -4.702392 3.510803 -0.880434
H 2.354265 -0.266006 0.678992
H 1.995368 3.509679 -1.433405
H 4.773905 0.211463 1.125837
H 4.413491 3.992038 -0.989096
H 5.812103 2.343052 0.292035


