%chk=000102223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102223

1 1
 S    2.034400     -0.4796000      -1.884900    
 S   -1.050300      -1.267500      0.2048000    
 N    2.052800      0.6064000      0.3758000    
 N   -2.466300      0.8488000     -0.6233000    
 C    1.335500      0.4374000     -0.6687000    
 C   -1.159700      0.3739000     -0.4953000    
 C    3.278300     -1.3900000E-02  0.2839000    
 C   -3.411800     -8.9100003E-02 -0.1661000    
 C  -1.6000001E-02  0.9925000     -0.8286000    
 C    1.646000       1.361800       1.542100    
 C   -2.906500       2.126500      -1.149800    
 C    3.454200     -0.6806000     -0.9222000    
 C   -2.838500      -1.287300      0.3159000    
 C    4.284500     -1.3500000E-02   1.260300    
 C   -4.796500      4.9400002E-02 -0.1464000    
 C    4.640600      -1.373300      -1.201400    
 C   -3.612300      -2.329500      0.8075000    
 C    2.041000       2.821200       1.420200    
 C   -3.040300       3.162300     -5.2600000E-02
 C    5.469600     -0.7031000      0.9861000    
 C   -5.585000     -0.9955000      0.3473000    
 C    5.643600      -1.371600     -0.2253000    
 C   -4.997400      -2.175600      0.8205000    
 H  -4.7200002E-02   1.995000      -1.247000    
 H   0.5629000       1.289600       1.690400    
 H    2.074900      0.9260000       2.450300    
 H   -2.183000       2.494600      -1.887400    
 H   -3.843700       2.039600      -1.711200    
 H    4.186500      0.5034000       2.209100    
 H   -5.292200      0.9489000     -0.4957000    
 H    4.783700      -1.895900      -2.141700    
 H   -3.161300      -3.245400       1.175100    
 H    1.574200       3.286600      0.5465000    
 H    3.125100       2.929300       1.314600    
 H    1.727800       3.376000       2.309900    
 H   -3.786600       2.865000      0.6910000    
 H   -2.089400       3.308500      0.4707000    
 H   -3.346800       4.125000     -0.4734000    
 H    6.265700     -0.7159000       1.726100    
 H   -6.666600     -0.8902000      0.3659000    
 H    6.574000      -1.900600     -0.4164000    
 H   -5.626900      -2.975500       1.200400    


%chk=000102223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102223

1 1
S 1.591175 -1.572548 -0.089674
S -1.523216 -1.766949 -0.298285
N 2.296431 0.890100 0.570727
N -2.590939 0.642699 -0.068675
C 1.162254 0.153567 0.269993
C -1.356084 0.017297 -0.010810
C 3.525473 0.181729 0.491821
C -3.701844 -0.214327 -0.291910
C -0.141853 0.685039 0.241837
C 2.259122 2.338672 0.912263
C -2.771390 2.106724 0.132708
C 3.352523 -1.185521 0.158131
C -3.325880 -1.571548 -0.456999
C 4.824606 0.694999 0.708419
C -5.065277 0.151902 -0.363584
C 4.435997 -2.070773 0.043574
C -4.266228 -2.584201 -0.704084
C 2.345074 3.244382 -0.332353
C -2.961244 2.482286 1.615721
C 5.919110 -0.187118 0.594472
C -6.016945 -0.859135 -0.611008
C 5.732660 -1.554583 0.268377
C -5.627715 -2.211966 -0.781728
H -0.221795 1.756464 0.438796
H 1.341773 2.534575 1.492976
H 3.100139 2.533533 1.597975
H -1.904880 2.627396 -0.308988
H -3.646029 2.412640 -0.464582
H 4.993577 1.747548 0.951684
H -5.391155 1.186702 -0.227447
H 4.289383 -3.123959 -0.211911
H -3.962983 -3.627030 -0.832380
H 1.505133 3.065391 -1.025881
H 3.284134 3.073966 -0.885853
H 2.318932 4.304077 -0.024061
H -3.852421 1.989998 2.040789
H -2.088496 2.190204 2.225218
H -3.097907 3.573763 1.708758
H 6.931089 0.195051 0.758870
H -7.076171 -0.591063 -0.669163
H 6.598148 -2.218330 0.185809
H -6.385279 -2.977556 -0.972540


