%chk=000178675.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178675

0 1
 S  -0.5204000      -1.228100      1.1400000E-02
 S   -1.027000       2.918200     -5.9000000E-02
 S    1.397600       1.010700      2.1100000E-02
 S   -4.034500       3.112400      9.8000001E-03
 N   -2.498200      0.7577000     -9.8000001E-03
 N    2.137800      -1.563100      3.7000000E-03
 C   -1.160900      0.3740000      4.6500001E-02
 C   -3.604000     -0.1485000     -5.5999998E-03
 C  -0.2791000       1.377800      2.7799999E-02
 C   -2.653900       2.167900     -4.8300002E-02
 C    1.160400     -0.7262000      1.1800000E-02
 C   -4.175500     -0.5369000       1.202700    
 C   -4.103000     -0.6360000      -1.210100    
 C    3.420900      -1.007300      1.9000000E-03
 C   -5.255100      -1.420300       1.206600    
 C   -5.182500      -1.519200      -1.206200    
 C    5.981500      9.9799998E-02 -1.8000000E-03
 C   -5.758600      -1.911300      2.0999999E-03
 C    4.065400     -0.7363000       1.208900    
 C    4.056700     -0.7247000      -1.207000    
 C    5.345800     -0.1828000       1.207000    
 C    5.337100     -0.1712000      -1.208900    
 C    7.349700      0.6932000     -4.4999998E-03
 H   -3.790500     -0.1606000       2.146800    
 H   -3.661600     -0.3364000      -2.157000    
 H   -5.703600      -1.725600       2.147400    
 H   -5.574800      -1.901600      -2.144100    
 H    3.579800     -0.9552000       2.156400    
 H    3.564400     -0.9344000      -2.153100    
 H   -6.599200      -2.599000      4.9999999E-03
 H    5.838200      2.2000000E-02   2.154000    
 H    5.822800      4.2700000E-02  -2.157200    
 H    7.498600       1.338200     -0.8772000    
 H    7.513700       1.313200      0.8834000    
 H    8.103200     -0.1005000     -2.1900000E-02


%chk=000178675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178675

0 1
S -0.637513 -0.710362 -0.049095
S -1.899361 3.371322 0.847483
S 0.983725 1.895330 0.630458
S -4.968134 2.862980 0.589039
N -2.919749 0.989346 0.275857
N 2.078482 -0.666201 -0.121510
C -1.520405 0.818631 0.339231
C -3.816415 -0.125547 0.016037
C -0.807439 1.951529 0.625283
C -3.384176 2.294003 0.527392
C 1.057487 0.053827 0.108298
C -3.813591 -1.232180 0.895197
C -4.667984 -0.089654 -1.109785
C 3.469285 -0.454946 -0.069788
C -4.667838 -2.325707 0.630557
C -5.522777 -1.183997 -1.360348
C 6.324485 -0.212131 -0.061599
C -5.523019 -2.303190 -0.494720
C 4.096365 0.679802 0.520096
C 4.287055 -1.467955 -0.642847
C 5.502561 0.787413 0.519123
C 5.687215 -1.341928 -0.643135
C 7.837543 -0.094702 -0.046945
H -3.165178 -1.231003 1.777609
H -4.661960 0.782331 -1.769418
H -4.669856 -3.185961 1.307958
H -6.186054 -1.162675 -2.231265
H 3.504109 1.468137 0.995692
H 3.794645 -2.339124 -1.085684
H -6.188093 -3.150148 -0.694374
H 5.970057 1.665902 0.979465
H 6.298850 -2.130561 -1.097568
H 8.269525 -0.325912 -1.037751
H 8.163806 0.920006 0.238140
H 8.285549 -0.804076 0.675516


