%chk=000042405.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042405

0 1
 N  -5.6100000E-02 -0.1411000      0.1738000    
 N    2.714200      -2.130100     -0.2933000    
 C   -1.442600     -0.2968000      3.8199998E-02
 C   -2.473600      0.6320000     -0.2278000    
 C   0.4838000      -1.392800      0.4224000    
 C   -2.247900       2.108000     -0.3863000    
 C   0.7205000       1.060000      5.7300001E-02
 C   -1.727700      -1.666200      0.1691000    
 C   -1.250200       2.621700      0.6384000    
 C   0.1755000       2.346300      0.2340000    
 C  -0.5109000      -2.335000      0.4226000    
 C    1.879500      -1.693800      0.8306000    
 C   -3.783000      0.1294000     -0.3758000    
 C   -3.053300      -2.127100      3.9900001E-02
 C    2.092200      0.9402000     -0.2508000    
 C    1.021400       3.468300      9.3000002E-02
 C   -4.071500      -1.221300     -0.2386000    
 C    2.907300       2.065000     -0.3880000    
 C    2.371800       3.331200     -0.2170000    
 C    2.163000      -3.342800     -0.8937000    
 C    4.087500      -2.355100      0.1521000    
 H   -1.929200       2.322000      -1.413600    
 H   -3.196300       2.635800     -0.2244000    
 H   -1.431400       2.206200       1.638300    
 H   -1.401600       3.704800      0.7348000    
 H  -0.3889000      -3.392500      0.6165000    
 H    2.328200     -0.8652000       1.390700    
 H    1.846300      -2.499300       1.581800    
 H   -4.601100      0.8128000     -0.5966000    
 H   -3.282900      -3.184100      0.1435000    
 H    2.560700      4.3200001E-02 -0.5989000    
 H   0.6273000       4.473200      0.2317000    
 H   -5.093200      -1.572800     -0.3501000    
 H    3.949700       1.949700     -0.6710000    
 H    2.998000       4.210800     -0.3297000    
 H    1.238400      -3.145400      -1.444700    
 H    1.992100      -4.140200     -0.1611000    
 H    2.855800      -3.737100      -1.647700    
 H    4.512100      -1.438300      0.5766000    
 H    4.726800      -2.630500     -0.6941000    
 H    4.154400      -3.147400      0.9065000    


%chk=000042405-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042405

0 1
N -0.102142 -0.169927 0.197644
N 2.761427 -2.130538 -0.168977
C -1.506640 -0.292321 -0.018781
C -2.503481 0.688938 -0.273097
C 0.407450 -1.473411 0.501244
C -2.227914 2.182119 -0.242694
C 0.708124 1.008137 -0.003952
C -1.846757 -1.685814 0.109116
C -1.175409 2.556450 0.843968
C 0.236088 2.309132 0.347166
C -0.638351 -2.388820 0.455090
C 1.821454 -1.767302 0.936963
C -3.824055 0.217161 -0.454254
C -3.182190 -2.121598 -0.083394
C 1.997904 0.857893 -0.580389
C 1.094740 3.415386 0.132168
C -4.164207 -1.162224 -0.382900
C 2.834994 1.976403 -0.769900
C 2.390041 3.266787 -0.408029
C 2.376846 -3.367782 -0.879386
C 4.156146 -2.176679 0.319813
H -1.866088 2.550436 -1.223129
H -3.178135 2.709403 -0.038422
H -1.391763 1.975235 1.761213
H -1.279693 3.625635 1.102102
H -0.546138 -3.450803 0.679833
H 2.249956 -0.887667 1.452388
H 1.769622 -2.593975 1.687997
H -4.616794 0.953955 -0.633679
H -3.437736 -3.182847 0.008808
H 2.341750 -0.143658 -0.875746
H 0.728622 4.414331 0.398738
H -5.205201 -1.467597 -0.536022
H 3.825765 1.835317 -1.216535
H 3.031829 4.142268 -0.554744
H 1.358748 -3.262697 -1.287959
H 2.398105 -4.273643 -0.221158
H 3.073122 -3.536562 -1.719852
H 4.436974 -1.193254 0.739173
H 4.835414 -2.398846 -0.522092
H 4.322672 -2.951317 1.110267


