%chk=000178674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178674

0 1
 S  -0.3168000      -1.154300      0.1991000    
 S  -0.9486000       2.954300     -0.2167000    
 S    1.530400       1.140000      7.7299997E-02
 S   -3.961400       3.054400     -0.2395000    
 N   -2.353400      0.7573000     -3.1199999E-02
 N    2.349600      -1.401300      0.2852000    
 C   -1.007000      0.4236000      8.9299999E-02
 C   -3.430500     -0.1815000      1.7899999E-02
 C  -0.1563000       1.451200      1.2300000E-02
 C   -2.551300       2.154200     -0.1868000    
 C    1.347100     -0.5990000      0.2014000    
 C   -4.023100     -0.4913000       1.238700    
 C   -3.880700     -0.7793000      -1.155700    
 C    3.615600     -0.8029000      0.2709000    
 C    4.289500     -0.5869000     -0.9311000    
 C   -5.074600      -1.406500       1.286400    
 C   -4.932200      -1.694500      -1.108100    
 C    4.202000     -0.4214000       1.477500    
 C    5.550000      1.0500000E-02 -0.9264000    
 C   -5.529200      -2.008000      0.1129000    
 C    3.682200     -0.9866000      -2.235900    
 C    5.462500      0.1761000       1.482400    
 C    6.136400      0.3921000      0.2803000    
 H   -3.676100     -2.8700000E-02   2.159000    
 H   -3.422700     -0.5416000      -2.112300    
 H   -5.539300      -1.650800       2.237100    
 H   -5.286300      -2.162900      -2.021800    
 H    3.687100     -0.5869000       2.420500    
 H    6.087300      0.1875000      -1.854300    
 H   -6.348000      -2.720600      0.1499000    
 H    3.272800      -2.001100      -2.183800    
 H    2.886500     -0.2912000      -2.519800    
 H    4.425700     -0.9895000      -3.040800    
 H    5.919300      0.4730000       2.421900    
 H    7.117600      0.8578000      0.2841000    


%chk=000178674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178674

0 1
S -0.421389 -0.643909 0.040835
S -1.722297 3.456034 0.784988
S 1.173442 1.996627 0.663760
S -4.784226 2.919119 0.500363
N -2.719907 1.050163 0.276954
N 2.294454 -0.552324 -0.074279
C -1.320839 0.891477 0.367502
C -3.605109 -0.078130 0.036959
C -0.618360 2.036868 0.626320
C -3.196122 2.359081 0.479581
C 1.260849 0.146584 0.164881
C -3.610272 -1.157518 0.949499
C -4.436885 -0.082571 -1.104079
C 3.679299 -0.296768 0.007817
C 4.537469 -1.085963 -0.823246
C -4.452479 -2.264705 0.703485
C -5.279798 -1.190157 -1.336044
C 4.227730 0.663948 0.903940
C 5.931439 -0.862519 -0.740608
C -5.287773 -2.282492 -0.436776
C 3.956696 -2.113556 -1.772234
C 5.622027 0.857941 0.970595
C 6.478279 0.098265 0.141449
H -2.977959 -1.124378 1.842961
H -4.424867 0.768884 -1.789947
H -4.461086 -3.103848 1.406812
H -5.927895 -1.200058 -2.218517
H 3.570137 1.229854 1.573008
H 6.598590 -1.456314 -1.376298
H -5.943798 -3.139757 -0.621828
H 3.239475 -2.771712 -1.250590
H 3.394577 -1.628776 -2.592365
H 4.751790 -2.732877 -2.220766
H 6.036190 1.593016 1.668933
H 7.562719 0.245675 0.186833


