%chk=000064598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064598

0 1
 N  -0.9213000       1.188100     -0.3792000    
 C    2.818800      0.5585000     -0.1466000    
 C    4.182500     -0.6989000       1.580900    
 C    4.222200      -1.439300     -0.8276000    
 C    5.349000      0.7111000     -0.1518000    
 C    2.874600      6.8499997E-02   1.319800    
 C    2.914100     -0.6700000      -1.082100    
 C    4.037800       1.474600     -0.4083000    
 C    4.256200      -1.909800      0.6359000    
 C    5.377300      0.2300000       1.308400    
 C    5.416800     -0.5068000      -1.088100    
 C    1.516400       1.321400     -0.4026000    
 C   0.3047000      0.4460000     -0.1109000    
 C   -2.094000      0.3659000     -0.1164000    
 C   -3.368300       1.199600     -0.3434000    
 C   -2.030700     -0.8653000      -1.020400    
 C   -4.644000      0.4445000     -5.6600001E-02
 C   -5.255700     -0.2669000      -1.076400    
 C   -5.179400      0.4765000       1.221200    
 C   -6.434100     -0.9647000     -0.8116000    
 C   -6.357800     -0.2214000       1.486000    
 C   -6.985100     -0.9419000      0.4695000    
 H    4.210200      -1.039900       2.621900    
 H    4.278200      -2.305800      -1.496000    
 H    6.203400       1.370600     -0.3404000    
 H    2.053800     -0.6152000       1.558200    
 H    2.797600      0.9179000       2.010500    
 H    2.866600     -0.3554000      -2.132500    
 H    2.095500      -1.378500     -0.9224000    
 H    3.994500       2.359000      0.2403000    
 H    4.021700       1.841400      -1.442600    
 H    5.176200      -2.476500      0.8253000    
 H    3.418100      -2.590000      0.8312000    
 H    5.345000       1.091000       1.987300    
 H    6.316700     -0.2993000       1.510000    
 H    6.356900      -1.049300     -0.9292000    
 H    5.413000     -0.1761000      -2.134000    
 H    1.484900       1.667900      -1.444300    
 H    1.482700       2.220200      0.2276000    
 H   0.2832000      0.1164000      0.9304000    
 H   0.3617000     -0.4187000     -0.7659000    
 H  -0.9491000       2.026200      0.2009000    
 H   -2.088400      3.1700000E-02  0.9299000    
 H   -3.397600       1.572700      -1.377000    
 H   -3.342200       2.099800      0.2866000    
 H   -1.238200      -1.564900     -0.7371000    
 H   -1.903300     -0.5935000      -2.074500    
 H   -2.938400      -1.469600     -0.9442000    
 H   -4.841000     -0.2855000      -2.080200    
 H   -4.696800       1.032900       2.019600    
 H   -6.923600      -1.524300      -1.603300    
 H   -6.786700     -0.2042000       2.483600    
 H   -7.902800      -1.485000      0.6757000    


%chk=000064598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064598

0 1
N -0.975587 0.781349 -0.576615
C 2.882491 0.385373 -0.098702
C 4.444381 -0.608882 1.671154
C 4.628207 -1.373827 -0.741530
C 5.386519 0.953830 -0.088001
C 3.015383 -0.069405 1.387028
C 3.198196 -0.832950 -1.018567
C 3.956487 1.486636 -0.365539
C 4.729130 -1.821287 0.742413
C 5.488113 0.506541 1.395130
C 5.671264 -0.257236 -1.016639
C 1.482538 0.989491 -0.398070
C 0.270045 0.046232 -0.251668
C -2.250593 0.064849 -0.315712
C -3.415132 1.078026 -0.530825
C -2.390099 -1.161586 -1.240686
C -4.777583 0.542531 -0.120240
C -5.732929 0.142471 -1.089511
C -5.118464 0.413071 1.252497
C -6.990997 -0.374418 -0.702461
C -6.373196 -0.102892 1.645422
C -7.315525 -0.500286 0.667667
H 4.511863 -0.928318 2.730421
H 4.826446 -2.239656 -1.404562
H 6.123949 1.757264 -0.286137
H 2.272593 -0.860694 1.611955
H 2.791565 0.786906 2.057316
H 3.104031 -0.529930 -2.082087
H 2.461310 -1.642438 -0.844409
H 3.749889 2.366881 0.278407
H 3.878557 1.829286 -1.418167
H 5.739771 -2.227983 0.948626
H 4.001387 -2.633359 0.944273
H 5.305575 1.371627 2.064841
H 6.509770 0.134565 1.612708
H 6.695868 -0.641936 -0.838650
H 5.619200 0.058067 -2.078486
H 1.473617 1.386773 -1.433724
H 1.333826 1.863747 0.274959
H 0.241337 -0.389674 0.778715
H 0.370836 -0.798542 -0.956827
H -0.978398 1.700458 -0.107655
H -2.305587 -0.295863 0.745200
H -3.412437 1.374511 -1.596300
H -3.184759 1.990181 0.059593
H -1.618055 -1.922231 -1.027905
H -2.284801 -0.847110 -2.295366
H -3.376895 -1.637396 -1.104297
H -5.488417 0.239815 -2.154508
H -4.397147 0.727828 2.017664
H -7.716147 -0.675304 -1.467396
H -6.618854 -0.191227 2.710072
H -8.290741 -0.898177 0.970279


