%chk=000049044.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049044

0 1
 S   -2.014300      -3.083500      0.3011000    
 O  -0.7633000       1.858200     -0.4979000    
 O   -2.610400       3.226900     -0.3804000    
 N    3.402900       1.409000      0.1592000    
 C    2.019600       1.833600      0.3370000    
 C    1.508400       2.516100     -0.9277000    
 C    3.919600      0.8060000       1.389100    
 C    3.513300      0.4647000     -0.9542000    
 C   7.0900001E-02   2.990800     -0.7643000    
 C    3.814800       1.769500       2.559100    
 C    4.959300      6.4700000E-02  -1.193300    
 C   0.6820000      -3.735300     -3.5599999E-02
 C    2.121200      -3.323900     -0.3579000    
 C  -0.3037000      -2.567100     -2.8600000E-02
 C   -2.834600      0.8752000     -5.8100000E-02
 C   -2.098300       2.101000     -0.3221000    
 C   -2.874800      -1.516100      0.2390000    
 C   -2.163800     -0.3470000     -1.3300000E-02
 C    3.035200      -4.536400     -0.4506000    
 C   -4.213200      0.9221000      0.1499000    
 C   -4.250000      -1.475200      0.4471000    
 C   -4.920900     -0.2531000      0.4024000    
 H    1.380200      0.9822000      0.6038000    
 H    1.929600       2.575700       1.136900    
 H    2.146000       3.367900      -1.192200    
 H    1.487800       1.827000      -1.776800    
 H    3.402100     -0.1298000       1.635500    
 H    4.985700      0.5783000       1.288000    
 H    2.895600     -0.4271000     -0.8002000    
 H    3.206400      0.9222000      -1.897900    
 H  -4.9000001E-03   3.704600      6.4099997E-02
 H  -0.2643000       3.476500      -1.687700    
 H    4.192000       2.765600       2.302900    
 H    2.792100       1.859500       2.938100    
 H    4.421200       1.398100       3.393100    
 H    5.622600      0.9358000      -1.227300    
 H    5.329300     -0.6361000     -0.4385000    
 H    5.043900     -0.4471000      -2.158900    
 H   0.3547000      -4.476800     -0.7762000    
 H   0.6662000      -4.234800      0.9417000    
 H    2.493700      -2.643300      0.4160000    
 H    2.147300      -2.783600      -1.311000    
 H  -0.2541000      -2.086500      -1.011800    
 H   2.3600001E-02  -1.864700      0.7459000    
 H   -1.097600     -0.3460000     -0.1787000    
 H    4.058700      -4.221700     -0.6774000    
 H    2.706100      -5.217300      -1.242100    
 H    3.050900      -5.088700      0.4944000    
 H   -4.755400       1.863600      0.1193000    
 H   -4.817300      -2.380900      0.6459000    
 H   -5.994200     -0.2166000      0.5644000    


%chk=000049044-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049044

0 1
S -2.105510 -3.243510 -0.181968
O -0.779635 1.978774 -0.411853
O -2.687042 3.296679 -0.173992
N 3.356528 1.469751 0.499372
C 2.021688 2.099997 0.686682
C 1.505039 2.763996 -0.609508
C 4.180015 1.474116 1.739584
C 3.246283 0.116613 -0.111358
C 0.048345 3.218163 -0.510502
C 4.772807 2.859127 2.061027
C 4.525281 -0.326647 -0.847048
C 0.543873 -4.113627 -0.457788
C 2.051540 -3.832386 -0.673431
C -0.277123 -2.813469 -0.423558
C -2.879908 0.858344 -0.137490
C -2.155462 2.160052 -0.238300
C -2.897062 -1.591721 -0.106055
C -2.186307 -0.376900 -0.216029
C 2.893386 -5.126304 -0.685530
C -4.284123 0.885140 0.046683
C -4.305852 -1.565825 0.078455
C -4.989066 -0.332968 0.152434
H 1.267624 1.359105 1.048552
H 2.103277 2.874923 1.471256
H 2.139256 3.640033 -0.843623
H 1.604143 2.066154 -1.461859
H 3.597100 1.096285 2.618497
H 5.014437 0.765115 1.590871
H 2.963825 -0.652846 0.654997
H 2.414800 0.144133 -0.840447
H -0.147932 3.840644 0.382657
H -0.277725 3.782514 -1.402813
H 5.390377 3.211097 1.216534
H 3.987196 3.614167 2.246046
H 5.405141 2.807959 2.967189
H 4.779328 0.400652 -1.637573
H 5.391614 -0.403946 -0.165550
H 4.377032 -1.319978 -1.311505
H 0.173394 -4.770234 -1.269762
H 0.405222 -4.667286 0.491693
H 2.417694 -3.157336 0.127082
H 2.189898 -3.288623 -1.630234
H -0.176354 -2.255851 -1.371579
H 0.040009 -2.169458 0.415961
H -1.104897 -0.352137 -0.362080
H 3.965585 -4.906580 -0.839319
H 2.567535 -5.804875 -1.495950
H 2.793621 -5.672620 0.270947
H -4.793475 1.851913 0.104578
H -4.862679 -2.505917 0.164261
H -6.074938 -0.328202 0.294546


