%chk=000047679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047679

0 1
 N    2.033500      0.2380000      0.1171000    
 N   -3.394400      0.2934000     -1.1500000E-02
 C    3.083900     -0.6400000     -1.6000000E-03
 C   0.8564000     -0.4476000      0.2421000    
 C    2.174100       1.681800      0.1677000    
 C    4.487600     -0.1672000     -0.1803000    
 C    3.534200       2.157600     -0.3408000    
 C    4.657500       1.295600      0.2358000    
 C  -0.4490000      0.2288000      0.4016000    
 C    1.152300      -1.792800      0.1994000    
 C    2.556200      -1.915300      4.5899998E-02
 C   -1.139900      0.5069000     -0.9495000    
 C   -2.507200       1.165400     -0.7723000    
 C   0.1901000      -2.908300      0.2968000    
 C   -3.580900     -0.9828000     -0.7041000    
 C   -4.687100      0.9427000      0.2131000    
 C   -4.450400      -1.926800      0.1090000    
 C   -4.517000       2.270500      0.9316000    
 H    2.038100       1.971400       1.216200    
 H    1.381400       2.136500     -0.4331000    
 H    5.174500     -0.7943000      0.3993000    
 H    4.760600     -0.2788000      -1.236900    
 H    3.683900       3.208300     -6.9100000E-02
 H    3.560100       2.100500      -1.436500    
 H    4.649300       1.373300       1.330600    
 H    5.630800       1.665600     -0.1056000    
 H  -0.3428000       1.165600      0.9617000    
 H   -1.089500     -0.4071000       1.024800    
 H    3.126100      -2.831700     -2.8100001E-02
 H  -0.5129000       1.207000      -1.518600    
 H   -1.171500     -0.3888000      -1.578400    
 H   -2.322900       2.113000     -0.2557000    
 H   -2.926700       1.406000      -1.757700    
 H  -0.3995000      -2.835800       1.216400    
 H  -0.4961000      -2.900400     -0.5559000    
 H   0.7015000      -3.876500      0.3051000    
 H   -4.012300     -0.8483000      -1.703900    
 H   -2.634800      -1.516200     -0.8232000    
 H   -5.235700       1.099300     -0.7243000    
 H   -5.316600      0.3312000      0.8677000    
 H   -4.120500      -1.985800       1.152000    
 H   -5.508300      -1.648000      8.4600002E-02
 H   -4.386000      -2.937500     -0.3101000    
 H   -3.850700       2.184000       1.796900    
 H   -4.146400       3.060500      0.2711000    
 H   -5.489900       2.611100       1.304400    


%chk=000047679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047679

0 1
N 2.054942 0.338558 0.077558
N -3.507946 0.263312 -0.302504
C 3.081788 -0.617540 0.142415
C 0.816722 -0.275277 0.365193
C 2.279139 1.790086 -0.057183
C 4.516547 -0.246869 -0.147608
C 3.665109 2.080372 -0.669810
C 4.765835 1.269394 0.052293
C -0.485476 0.480997 0.359116
C 1.065086 -1.642389 0.589537
C 2.487178 -1.846491 0.449938
C -1.124328 0.647932 -1.049236
C -2.566941 1.198918 -0.978140
C 0.035524 -2.703638 0.897572
C -3.931108 -0.851515 -1.194871
C -4.665600 0.957176 0.324874
C -4.350127 -2.117069 -0.422004
C -4.300675 1.690107 1.630067
H 2.211120 2.270382 0.942086
H 1.480487 2.224326 -0.686282
H 5.191493 -0.840433 0.496507
H 4.776274 -0.508772 -1.195984
H 3.861946 3.166441 -0.597082
H 3.662012 1.815128 -1.745566
H 4.753664 1.516440 1.132901
H 5.764152 1.543542 -0.336398
H -0.366665 1.483521 0.821088
H -1.221617 -0.057945 0.982724
H 3.016784 -2.793439 0.558037
H -0.511845 1.329317 -1.675179
H -1.111581 -0.333833 -1.560399
H -2.552236 2.145549 -0.405195
H -2.921508 1.457605 -2.008512
H -0.949778 -2.259461 1.128580
H -0.108722 -3.398281 0.046171
H 0.337246 -3.318499 1.766838
H -4.759547 -0.530099 -1.877272
H -3.074840 -1.107588 -1.844897
H -5.146866 1.673596 -0.390221
H -5.427935 0.191551 0.558200
H -3.511651 -2.474743 0.201207
H -5.212524 -1.930112 0.243258
H -4.637730 -2.921764 -1.124554
H -3.855557 0.981667 2.350357
H -3.573461 2.504935 1.461122
H -5.203685 2.138904 2.084956


