%chk=000122147.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122147

0 1
 S  -0.1544000      -2.641300     -0.3258000    
 S    2.323700      -1.024500     -0.4822000    
 S    4.016400       1.319300     -4.8799999E-02
 O  -0.1063000      -2.835100      -1.759000    
 O   0.3883000      -3.592400      0.6207000    
 O    4.154600       2.337800      0.9778000    
 O    5.008200      0.2651000     -0.1724000    
 N   -1.944300      0.9268000      0.1695000    
 N    3.819600       2.077500      -1.565000    
 C   -1.183200      0.1188000       1.123700    
 C   -1.844100      -1.259600       1.366300    
 C   0.2263000     -2.0000001E-03  0.6160000    
 C   -1.820500      -2.203300      0.1584000    
 C   0.6994000      -1.135400     -9.8999999E-03
 C   -3.324300       1.070500      0.6041000    
 C    1.253800      0.9894000      0.7049000    
 C   -4.179800       1.854700     -0.4057000    
 C    2.440400      0.5662000      0.1434000    
 C   -4.141500       1.156200      -1.767600    
 C   -5.632300       2.011300      5.1600002E-02
 H   -1.147000      0.6453000       2.087600    
 H   -2.856100      -1.188600       1.773400    
 H   -1.277200      -1.749700       2.172300    
 H   -2.335200      -3.140600      0.3922000    
 H   -2.310500      -1.747700     -0.7075000    
 H   -1.521300       1.850400      7.8400001E-02
 H   -3.364000       1.577800       1.576100    
 H   -3.829300      0.1072000      0.7098000    
 H    1.125500       1.965200       1.156300    
 H   -3.755300       2.860300     -0.5231000    
 H   -4.503300      0.1244000      -1.697800    
 H   -4.775200       1.684300      -2.488700    
 H   -3.129900       1.135700      -2.185500    
 H   -6.120900       1.037400      0.1636000    
 H   -6.207900       2.599700     -0.6707000    
 H   -5.678100       2.526200       1.016800    
 H    3.159000       2.863900      -1.612400    
 H    4.671100       2.244400      -2.116100    


%chk=000122147-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122147

0 1
S 0.050621 -2.949347 -0.455024
S 2.534591 -0.943709 -0.600258
S 3.707058 1.921156 0.198002
O 0.253412 -3.307200 -2.033447
O 0.551989 -3.995538 0.695429
O 3.020889 3.274636 0.793661
O 5.034610 1.264992 0.858078
N -2.077884 0.546304 0.056779
N 4.115057 2.087559 -1.579885
C -1.238923 -0.212152 1.021893
C -1.807860 -1.644133 1.223326
C 0.202745 -0.220799 0.534333
C -1.788451 -2.464595 -0.064418
C 0.836704 -1.270979 -0.117507
C -3.277382 1.206186 0.622011
C 1.082250 0.917865 0.663702
C -4.124247 1.890639 -0.479283
C 2.329141 0.684683 0.118795
C -4.722102 0.857055 -1.460634
C -5.229948 2.758957 0.164473
H -1.241248 0.284142 2.022400
H -2.860143 -1.564871 1.555489
H -1.257305 -2.173506 2.025139
H -2.282058 -3.445736 0.013975
H -2.114072 -1.893118 -0.947232
H -1.525027 1.186806 -0.527940
H -3.008959 1.960936 1.402330
H -3.900457 0.438412 1.123389
H 0.815193 1.859858 1.150555
H -3.448134 2.564193 -1.051297
H -5.458546 0.212736 -0.941991
H -5.243913 1.359226 -2.295617
H -3.934100 0.207672 -1.880324
H -5.916667 2.134751 0.768239
H -5.833392 3.264164 -0.611074
H -4.805578 3.537239 0.825878
H 3.568527 2.853972 -2.004738
H 5.138009 2.207146 -1.662505


