%chk=000125816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125816

0 1
 S    4.627900      -2.654500      0.2543000    
 O  -1.3900000E-02  0.1125000      0.5634000    
 O   0.3486000     -0.8875000      -1.509900    
 O    3.511200       3.061800     -0.5445000    
 N    2.247500       1.422500      0.5221000    
 C    2.080800      0.5362000     -0.6014000    
 C    3.231900     -0.4745000     -0.6952000    
 C    3.238600      -1.498100      0.4434000    
 C   0.7266000     -0.1623000     -0.5951000    
 C   -2.383100      0.1298000      9.2699997E-02
 C   -1.236100     -0.4957000      0.6083000    
 C   -3.627500     -0.5404000      0.1632000    
 C   -1.315000      -1.763500       1.185300    
 C    2.951900       2.615100      0.4535000    
 C   -2.322200       1.405600     -0.4912000    
 C   -3.688400      -1.816500      0.7469000    
 C   -4.774500      8.4799998E-02 -0.3523000    
 C   -2.538700      -2.422800       1.254200    
 C   -3.471900       2.011900     -0.9982000    
 C   -4.695800       1.352700     -0.9289000    
 C    2.949700       3.358600       1.762400    
 C    4.152200      -3.375800      -1.332900    
 H    2.090400       1.161500      -1.503500    
 H    3.130200     -0.9810000      -1.661100    
 H    4.186900      6.6699997E-02 -0.7153000    
 H    3.354200     -0.9947000       1.408500    
 H    2.308400      -2.073100      0.4810000    
 H    1.830700       1.149800       1.407900    
 H  -0.4246000      -2.242900       1.583600    
 H   -1.384200       1.952100     -0.5592000    
 H   -4.634300      -2.350200      0.8116000    
 H   -5.741600     -0.4118000     -0.3089000    
 H   -2.599500      -3.409800       1.703300    
 H   -3.411700       2.999500      -1.446400    
 H   -5.590400       1.825500      -1.323600    
 H    3.664200       4.185100       1.718000    
 H    1.949600       3.756700       1.953900    
 H    3.238400       2.689300       2.577900    
 H    3.085000      -3.611600      -1.357500    
 H    4.411300      -2.709600      -2.159300    
 H    4.708200      -4.307200      -1.473500    


%chk=000125816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125816

0 1
S 4.856601 -2.368241 0.970751
O -0.058750 -0.067387 -0.144084
O 0.773399 -1.309321 -1.963100
O 3.694147 2.773411 -0.848818
N 2.047109 1.447112 0.102403
C 2.188577 0.413972 -0.930836
C 3.415558 -0.529119 -0.689248
C 3.318892 -1.326981 0.619928
C 0.920237 -0.418609 -1.108135
C -2.465804 0.148192 0.076387
C -1.334783 -0.720230 -0.079420
C -3.766433 -0.469655 0.244212
C -1.449202 -2.108214 -0.086124
C 2.828373 2.592025 0.062655
C -2.361012 1.577569 0.068205
C -3.874290 -1.899680 0.235976
C -4.913443 0.375675 0.409260
C -2.741482 -2.698112 0.070057
C -3.500266 2.369818 0.228159
C -4.786046 1.765876 0.403443
C 2.583138 3.602010 1.177986
C 4.666661 -3.674892 -0.373797
H 2.384906 0.926890 -1.894068
H 3.486248 -1.210655 -1.556226
H 4.317090 0.107468 -0.682295
H 3.242280 -0.653130 1.490986
H 2.447797 -2.008393 0.626966
H 1.308591 1.331381 0.797833
H -0.567525 -2.738914 -0.219175
H -1.378124 2.036363 -0.074511
H -4.862016 -2.357865 0.360109
H -5.897087 -0.091188 0.537532
H -2.830041 -3.789187 0.060367
H -3.413999 3.461722 0.216201
H -5.669549 2.400956 0.528827
H 3.502815 3.705683 1.779913
H 2.375068 4.588574 0.730257
H 1.750146 3.326516 1.847743
H 3.669111 -4.139519 -0.310521
H 4.825867 -3.242822 -1.373578
H 5.438242 -4.434897 -0.174722


