%chk=000145768.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145768

0 1
 S   0.5812000      -1.255600      7.1999999E-03
 N    6.930800      0.2268000     -6.6000000E-03
 N    5.994500      -1.914400     -3.0000001E-04
 N   -6.739100     -0.2460000      -1.181000    
 N   -6.670500     -0.2295000       1.154900    
 C    1.855200      0.9944000     -2.6000000E-03
 C    2.070900     -0.3872000      2.4999999E-03
 C  -0.3402000      0.1785000      2.3000001E-03
 C   0.4530000       1.301100     -2.4000001E-03
 C   -1.781200      8.5000001E-02  3.5999999E-03
 C    3.371100     -0.9296000      3.1999999E-03
 C    2.984700       1.848200     -7.3000002E-03
 C    4.464500     -6.1400000E-02 -1.6000000E-03
 C    4.275600       1.313300     -7.1999999E-03
 C   -2.476700      3.5500001E-02  -1.203500    
 C   -2.474400      4.3200001E-02   1.212400    
 C   -4.563500     -9.7999997E-02  6.8999999E-03
 C   -3.868500     -5.5900000E-02  -1.201900    
 C   -3.866300     -4.8400000E-02   1.214100    
 C    5.813500     -0.6058000     -1.3000000E-03
 C   -6.014400     -0.1941000      8.5000005E-03
 H   5.6600001E-02   2.309900     -6.0000001E-03
 H    3.495900      -2.008900      7.3000002E-03
 H    2.851700       2.927400     -1.1500000E-02
 H    5.095100       2.023800     -1.1300000E-02
 H   -1.949800      6.7900002E-02  -2.154300    
 H   -1.946000      8.1500001E-02   2.162200    
 H   -4.360400     -9.0999998E-02  -2.167600    
 H   -4.376200     -7.9099998E-02   2.173200    
 H    7.863800     -0.1725000     -7.8999996E-03
 H    6.883400       1.237900     -7.8999996E-03
 H    7.003700      -2.100000     -2.0000001E-03
 H   -7.751600     -0.3113000      -1.159200    
 H   -6.316900     -0.2240000      -2.100700    
 H   -7.673700     -0.2957000      0.9499000    


%chk=000145768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145768

0 1
S 0.649634 -1.067463 -0.986183
N 6.966394 -0.004472 0.394596
N 6.141339 -1.210435 -1.537327
N -6.784970 -1.068330 -0.732742
N -6.794845 1.065563 0.410887
C 1.903990 0.839718 0.428707
C 2.181969 -0.290947 -0.409231
C -0.334688 0.180769 -0.068871
C 0.489998 1.076397 0.597996
C -1.801132 0.133161 -0.108277
C 3.487245 -0.704252 -0.709213
C 3.004482 1.567979 0.957307
C 4.572535 0.021475 -0.159072
C 4.316794 1.160230 0.665162
C -2.496114 -0.726669 -1.003879
C -2.581995 0.962252 0.753362
C -4.671484 0.053533 -0.165191
C -3.903473 -0.766444 -1.031996
C -3.983587 0.924989 0.720700
C 5.962925 -0.442219 -0.478945
C -6.170596 0.043752 -0.145808
H 0.102308 1.907503 1.191984
H 3.716124 -1.555028 -1.357349
H 2.824124 2.450700 1.580505
H 5.150825 1.762694 1.042732
H -1.930582 -1.357469 -1.699620
H -2.085082 1.630949 1.463873
H -4.390158 -1.413602 -1.771333
H -4.588848 1.563007 1.371576
H 7.938622 -0.244896 0.213944
H 6.741917 0.430834 1.286271
H 7.127779 -1.515743 -1.668106
H -7.799800 -1.117432 -0.791018
H -6.254432 -1.894380 -0.998705
H -7.831417 0.970276 0.407364


