%chk=000155662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155662

0 1
 S    4.103400       1.569400     -0.7866000    
 S   -4.104000       1.569300      0.7865000    
 O    2.288600       1.572800       1.374700    
 O   -2.289200       1.575300      -1.374900    
 O    6.340100      -2.056800       2.448700    
 O   -6.339400      -2.058000      -2.448600    
 N    5.377400      -1.927200     -0.2473000    
 N   -5.376700      -1.927900      0.2475000    
 N    5.578700     -0.6032000     -0.1692000    
 N   -5.578400     -0.6038000      0.1692000    
 N    3.515100      -1.091000      -1.027300    
 N   -3.514800      -1.090800       1.027400    
 C    1.234900       1.571600     -0.7633000    
 C   -1.235500       1.571900      0.7631000    
 C   2.0000000E-02   1.572200      -1.451900    
 C  -2.0700000E-02   1.572000       1.451800    
 C    1.259000       1.571800      0.7137000    
 C   -1.259500       1.572600     -0.7138000    
 C    2.440800       1.570400      -1.474600    
 C   -2.441400       1.571000       1.474500    
 C   1.1100000E-02   1.571500      -2.851900    
 C  -1.1600000E-02   1.571400       2.851800    
 C    2.427200       1.569500      -2.869800    
 C   -2.427800       1.570200       2.869600    
 C    1.215000       1.570100      -3.556800    
 C   -1.215500       1.570500       3.556800    
 C    4.427300     -0.1650000     -0.6507000    
 C   -4.427300     -0.1653000      0.6508000    
 C    6.391900      -2.857400      0.1782000    
 C   -6.390900      -2.858400     -0.1779000    
 C    4.148600      -2.208900     -0.7581000    
 C   -4.147800      -2.209000      0.7583000    
 C    6.262000      -3.229700       1.649000    
 C   -6.260800      -3.230800      -1.648800    
 H  -0.9182000       1.571500      -3.415200    
 H   0.9177000       1.571200       3.415000    
 H    3.346100       1.568400      -3.452400    
 H   -3.346700       1.569300       3.452300    
 H    1.206900       1.569200      -4.643000    
 H   -1.207400       1.569700       4.643000    
 H    6.317100      -3.750300     -0.4516000    
 H    7.362700      -2.386500     -1.6000001E-02
 H   -6.315800      -3.751300      0.4520000    
 H   -7.361900      -2.388000      1.6200000E-02
 H    3.776500      -3.212700     -0.9075000    
 H   -3.775400      -3.212700      0.9078000    
 H    7.059400      -3.915600       1.950900    
 H    5.299000      -3.709400       1.850500    
 H   -7.057800      -3.917000      -1.950600    
 H   -5.297500      -3.710100      -1.850300    
 H    7.202800      -1.642300       2.277000    
 H   -7.202500      -1.644200      -2.277300    


%chk=000155662-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155662

0 1
S 3.427989 0.500577 -2.669856
S -3.427229 0.514832 2.666234
O 2.731653 0.772176 0.253147
O -2.730536 0.777910 -0.257602
O 4.710771 0.089785 2.314943
O -4.711369 0.088855 -2.317236
N 4.908597 -1.890733 0.014194
N -4.908593 -1.884660 -0.010030
N 4.946220 -0.685779 -0.702402
N -4.944811 -0.676758 0.701402
N 3.189183 -2.028950 -1.425247
N -3.191205 -2.020079 1.432060
C 0.846091 0.645133 -1.241953
C -0.845259 0.651887 1.238076
C -0.585114 0.714145 -1.327889
C 0.586065 0.719136 1.323767
C 1.466136 0.703882 0.107377
C -1.465221 0.706526 -0.111445
C 1.595591 0.588446 -2.463142
C -1.594878 0.601442 2.459413
C -1.234826 0.788133 -2.582687
C 1.235699 0.798454 2.578274
C 0.923784 0.671829 -3.707894
C -0.923167 0.690192 3.703848
C -0.478808 0.788181 -3.769667
C 0.479517 0.805459 3.765160
C 3.884728 -0.831489 -1.545035
C -3.884524 -0.820724 1.545915
C 5.683057 -1.979379 1.261154
C -5.682685 -1.977574 -1.256915
C 3.846273 -2.660006 -0.422427
C -3.847937 -2.653912 0.430771
C 4.889569 -1.345884 2.436726
C -4.889295 -1.347329 -2.434292
H -2.327348 0.843183 -2.616880
H 2.328285 0.852092 2.612457
H 1.512561 0.617995 -4.629110
H -1.512032 0.641276 4.625291
H -0.978665 0.851556 -4.741273
H 0.979334 0.873275 4.736484
H 5.900834 -3.041502 1.474906
H 6.627624 -1.434569 1.105253
H -5.899663 -3.040514 -1.467284
H -6.627716 -1.432925 -1.103100
H 3.597924 -3.639671 -0.022874
H -3.600924 -3.635672 0.035567
H 5.463026 -1.496209 3.367809
H 3.915128 -1.875508 2.534841
H -5.462473 -1.501046 -3.364985
H -3.914483 -1.876603 -2.530482
H 4.222485 0.329153 1.475823
H -4.224563 0.331464 -1.478286


