%chk=000079166.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079166

2 1
 S   0.1477000      -2.030300       1.713500    
 S   -3.941700     -0.5640000      -1.572900    
 N    2.414000      -2.013000      0.6391000    
 N   -2.703900       1.483800     -0.8213000    
 C    3.933100       2.624500      3.3900000E-02
 C    2.421000       2.837500      0.1323000    
 C    4.521600       1.854300       1.221000    
 C    1.882400       3.575300      -1.095800    
 C    4.002000      0.4251000       1.409500    
 C   0.3774000       3.820500     -0.9715000    
 C    4.351600     -0.5089000      0.2482000    
 C  -0.4483000       2.531800     -0.9272000    
 C    3.863600      -1.938300      0.4802000    
 C   -1.961400       2.740100     -0.8678000    
 C    1.539600      -2.195400     -0.4084000    
 C   -3.044700      0.8413000      0.3475000    
 C    1.849300      -1.907000       1.822100    
 C   -3.097600      0.8812000      -1.921900    
 C   0.2120000      -2.232100     -6.0000003E-04
 C   -3.749200     -0.3360000      0.1282000    
 C    1.881900      -2.335900      -1.760900    
 C   -2.746500       1.270700       1.648500    
 C  -0.8259000      -2.410400     -0.9258000    
 C   -4.183500      -1.130900       1.198100    
 C   0.8497000      -2.513900      -2.687300    
 C   -3.177900      0.4809000       2.718700    
 C  -0.4820000      -2.550400      -2.275100    
 C   -3.884700     -0.7004000       2.495700    
 H    4.425400       3.604000     -1.5699999E-02
 H    4.178700       2.111700     -0.9028000    
 H    2.185400       3.399300       1.043800    
 H    1.935800       1.861500      0.2109000    
 H    5.612600       1.823300       1.109500    
 H    4.322400       2.419300       2.140200    
 H    2.392400       4.540300      -1.199000    
 H    2.092100       2.998600      -2.004500    
 H    2.922600      0.4669000       1.571800    
 H    4.440900      2.2600001E-02   2.331300    
 H   0.1724000       4.417200     -7.4299999E-02
 H   5.2000001E-02   4.420900      -1.829700    
 H    5.438000     -0.5228000      0.1027000    
 H    3.905400     -0.1316000     -0.6781000    
 H  -0.2075000       1.918900      -1.805000    
 H  -0.1657000       1.935500     -5.3300001E-02
 H    4.187600      -2.590800     -0.3374000    
 H    4.335800      -2.346600       1.383800    
 H   -2.234600       3.369100     -1.3700000E-02
 H   -2.284700       3.299600      -1.755900    
 H    2.389600      -1.767800       2.748500    
 H   -2.908900       1.251100      -2.920400    
 H    2.907700      -2.304400      -2.112900    
 H   -2.191100       2.180000       1.853000    
 H   -1.856600      -2.484000     -0.6040000    
 H   -4.732900      -2.052100       1.032800    
 H    1.089200      -2.625700      -3.741500    
 H   -2.956600      0.7908000       3.736600    
 H   -1.266800      -2.700200      -3.012300    
 H   -4.208500      -1.298900       3.343500    


%chk=000079166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079166

2 1
S 4.520669 -6.018173 -0.114448
S -7.106834 3.629207 0.203615
N 5.204523 -3.505943 0.191179
N -4.544615 4.059539 -0.147155
C 1.406040 0.110255 -0.127627
C 0.369486 1.254629 -0.004192
C 1.884626 -0.412641 1.247212
C -0.121937 1.755820 -1.383330
C 2.912782 -1.573132 1.186064
C -0.982549 3.043288 -1.346525
C 4.268857 -1.167062 0.560034
C -2.350936 2.871612 -0.638083
C 5.417302 -2.166238 0.835201
C -3.206801 4.146942 -0.821978
C 5.482330 -3.758285 -1.182818
C -4.733804 4.310966 1.241920
C 4.710537 -4.564582 0.855071
C -5.665675 3.703496 -0.797790
C 5.171675 -5.099620 -1.547272
C -6.091665 4.129792 1.631440
C 6.024602 -2.859762 -2.130638
C -3.760618 4.717200 2.184114
C 5.384989 -5.581711 -2.851483
C -6.517710 4.341463 2.955352
C 6.240424 -3.339832 -3.435211
C -4.184534 4.931982 3.508176
C 5.924738 -4.680445 -3.793620
C -5.542535 4.746154 3.891315
H 2.267894 0.481082 -0.719192
H 0.962764 -0.726607 -0.706737
H 0.828435 2.098937 0.551827
H -0.486966 0.901887 0.606457
H 2.321538 0.425036 1.828918
H 1.003753 -0.761750 1.821803
H 0.761998 1.960735 -2.019718
H -0.687076 0.948184 -1.892167
H 2.468950 -2.420643 0.624131
H 3.088939 -1.930720 2.222323
H -0.408037 3.852858 -0.851706
H -1.158241 3.375457 -2.389961
H 4.599476 -0.205025 0.999631
H 4.166673 -0.995501 -0.527671
H -2.887415 2.004892 -1.071461
H -2.206344 2.661891 0.438096
H 6.383819 -1.783464 0.464850
H 5.521253 -2.341073 1.919849
H -2.693299 5.036196 -0.416253
H -3.391419 4.334013 -1.893918
H 4.457370 -4.537826 1.913094
H -5.690508 3.484389 -1.863791
H 6.278829 -1.829610 -1.867169
H -2.715226 4.868459 1.901638
H 5.152310 -6.612941 -3.130672
H -7.560703 4.206522 3.254415
H 6.665526 -2.670147 -4.188445
H -3.456181 5.253466 4.258308
H 6.109431 -5.022823 -4.815985
H -5.839210 4.925004 4.928880


