%chk=000148142.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148142

0 1
 S   0.9641000       3.411100     -0.6940000    
 S   -3.099100      -2.963100     -0.7432000    
 N    5.319400      -1.441900      0.2852000    
 N    1.608400      -1.488400      0.1505000    
 N   0.5595000      0.6096000      8.3099999E-02
 N  -0.7357000      -1.422400      6.7199998E-02
 C    3.973000      -2.012600      0.2740000    
 C    2.929000     -0.9067000      0.1882000    
 C   0.4408000     -0.7437000      9.8800004E-02
 C  -0.5966000       1.303200      3.2400001E-02
 C   -1.852100     -0.6666000      1.7000001E-02
 C    6.322600      -2.501000      0.3882000    
 C    5.544500     -0.6397000     -0.9168000    
 C   -1.843500      0.7132000     -2.6000000E-03
 C  -0.4417000       2.733300      1.6700000E-02
 C   -3.082900      -1.410700     -1.4800000E-02
 C   -1.286900       3.708600      0.5079000    
 C   -4.326900      -1.061800      0.4724000    
 C  -0.7744000       5.021300      0.2979000    
 C   -5.299100      -2.078200      0.2450000    
 C   0.4433000       5.004600     -0.3457000    
 C   -4.765600      -3.167800     -0.4075000    
 H    3.806500      -2.584800       1.196200    
 H    3.846500      -2.714500     -0.5618000    
 H    3.040800     -0.3106000     -0.7222000    
 H    3.021100     -0.2371000       1.052300    
 H    1.504700      -2.496900      0.1598000    
 H    7.329300      -2.073600      0.4569000    
 H    6.294800      -3.182800     -0.4696000    
 H    6.170800      -3.088300       1.300700    
 H    5.010600      0.3147000     -0.8779000    
 H    5.275500      -1.172600      -1.836200    
 H    6.602900     -0.3615000     -0.9959000    
 H   -2.756100       1.295300     -5.7100002E-02
 H   -2.228800       3.503600       1.001700    
 H   -4.542000     -0.1270000      0.9753000    
 H   -1.272900       5.931600      0.6046000    
 H   -6.336600      -2.014200      0.5459000    
 H    1.052300       5.852000     -0.6276000    
 H   -5.274800      -4.074400     -0.7027000    


%chk=000148142-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148142

0 1
S 1.784911 2.855503 -0.035558
S -3.342230 -3.291225 0.664651
N 5.038391 -1.232329 0.003238
N 1.481023 -2.031834 1.112324
N 0.765096 0.119914 0.476681
N -0.796714 -1.757109 0.687945
C 3.633892 -1.682194 -0.132894
C 2.884564 -1.615531 1.222759
C 0.458679 -1.191078 0.743770
C -0.282292 0.936436 0.129191
C -1.827879 -0.927621 0.335284
C 5.926058 -1.798493 -1.032676
C 5.168250 0.238767 0.086615
C -1.612003 0.448338 0.043807
C 0.054155 2.332081 -0.152781
C -3.158921 -1.531939 0.275114
C -0.763155 3.401226 -0.518150
C -4.391287 -0.964019 -0.047407
C -0.054953 4.637125 -0.711493
C -5.490429 -1.888827 0.004335
C 1.311723 4.520145 -0.494461
C -5.103305 -3.172171 0.367850
H 3.637477 -2.731319 -0.484692
H 3.064033 -1.080810 -0.883145
H 2.904310 -0.583777 1.611023
H 3.398205 -2.267988 1.950414
H 1.211946 -3.001903 1.278734
H 6.971659 -1.508940 -0.821302
H 5.679548 -1.455472 -2.069990
H 5.868129 -2.901453 -1.013922
H 4.554574 0.636240 0.912111
H 4.848784 0.757259 -0.852701
H 6.221602 0.504383 0.288524
H -2.437548 1.102676 -0.238208
H -1.844675 3.309674 -0.645304
H -4.512121 0.088396 -0.315746
H -0.539193 5.573349 -0.998921
H -6.523987 -1.613664 -0.218553
H 2.079948 5.288274 -0.568939
H -5.721566 -4.060889 0.484774


