%chk=000025178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025178

0 1
 N    1.384800     -0.6608000      0.1725000    
 N    5.039600     -0.1904000     -0.3791000    
 C  -0.9774000      -1.428200      0.3529000    
 C   0.4741000      -1.783500     -3.9299998E-02
 C   -1.518700     -0.2568000     -0.4575000    
 C   -1.875700      -2.681600      0.2211000    
 C    2.740000      -1.013600     -0.2226000    
 C    3.677600      0.1692000      3.0000001E-04
 C   -1.914200      0.9474000      0.1475000    
 C   -1.609800     -0.4228000      -1.839800    
 C   -2.408900       1.998200     -0.6613000    
 C   -3.249700      -2.476400      0.7983000    
 C    5.832900       1.009900     -0.6484000    
 C    5.671400     -0.9922000      0.6699000    
 C   -1.829600       1.131900       1.537200    
 C   -2.095900      0.6107000      -2.635100    
 C   -2.493300       1.813900      -2.051000    
 C   -2.804400       3.202400     -5.6699999E-02
 C    5.961700       1.873400      0.5950000    
 C    7.067800      -1.429200      0.2609000    
 C   -2.227300       2.335000       2.121000    
 C   -4.383900      -2.664500      0.1085000    
 C   -2.713800       3.368400       1.325600    
 C   -5.747600      -2.460600      0.6801000    
 H  -0.9355000      -1.218100       1.422000    
 H   0.8036000      -2.636200      0.5690000    
 H   0.5166000      -2.106500      -1.086700    
 H   -1.414500      -3.509000      0.7766000    
 H   -1.936400      -3.017800     -0.8210000    
 H    3.059500      -1.885300      0.3576000    
 H    2.759600      -1.293900      -1.283500    
 H    1.367100     -0.3847000       1.153800    
 H    3.612100      0.5022000       1.044600    
 H    3.312800      0.9971000     -0.6234000    
 H   -1.308500      -1.347000      -2.324400    
 H    5.348500       1.593800      -1.442100    
 H    6.820200      0.7683000      -1.056000    
 H    5.104000      -1.918500      0.8122000    
 H    5.691700     -0.5083000       1.652900    
 H   -3.302900      -2.171000       1.840500    
 H   -1.464700      0.3853000       2.230700    
 H   -2.166500      0.4814000      -3.711200    
 H   -2.870300       2.608100      -2.692100    
 H   -3.187600       4.023600     -0.6589000    
 H    5.001500       2.191100       1.010500    
 H    6.558000       1.410100       1.385900    
 H    6.491200       2.795000      0.3237000    
 H    7.422300      -2.209500      0.9438000    
 H    7.796100     -0.6143000      0.3125000    
 H    7.080400      -1.852600     -0.7495000    
 H   -2.157400       2.466100       3.197000    
 H   -4.334200      -2.976600     -0.9313000    
 H   -3.023100       4.304700       1.780800    
 H   -5.715700      -2.142100       1.726700    
 H   -6.280600      -1.695600      0.1071000    
 H   -6.318300      -3.392500      0.6241000    


%chk=000025178-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025178

0 1
N 1.396329 -0.905128 0.220168
N 5.100070 -0.170967 -0.188761
C -1.013211 -1.575394 0.299665
C 0.434398 -1.971360 -0.102350
C -1.501205 -0.332412 -0.453213
C -1.976893 -2.793624 0.103536
C 2.794740 -1.168739 -0.170315
C 3.667560 0.075459 0.103149
C -1.892319 0.889699 0.217257
C -1.584613 -0.386910 -1.851904
C -2.344256 2.021040 -0.578607
C -3.342788 -2.584930 0.721884
C 5.805007 0.996030 -0.776363
C 5.811406 -0.844332 0.926321
C -1.861555 1.056479 1.645456
C -2.028847 0.721266 -2.630929
C -2.402172 1.910143 -2.005092
C -2.728232 3.240263 0.073880
C 6.008428 2.223327 0.156140
C 7.164901 -1.450701 0.510510
C -2.242670 2.254892 2.253475
C -4.517127 -2.583560 0.039584
C -2.680222 3.362693 1.462304
C -5.881800 -2.362308 0.651899
H -0.990198 -1.366043 1.387048
H 0.678000 -2.947232 0.394372
H 0.482316 -2.156642 -1.194072
H -1.491529 -3.680347 0.564967
H -2.084087 -3.012837 -0.976159
H 3.234479 -2.061133 0.343672
H 2.823706 -1.386022 -1.254424
H 1.318216 -0.595050 1.198854
H 3.504257 0.410816 1.160302
H 3.298627 0.893539 -0.541393
H -1.290666 -1.306682 -2.372466
H 5.229356 1.310470 -1.667761
H 6.788717 0.655328 -1.149547
H 5.156928 -1.661824 1.282946
H 5.963200 -0.162346 1.802279
H -3.360509 -2.412876 1.810951
H -1.536449 0.228348 2.282685
H -2.071698 0.632200 -3.722210
H -2.743528 2.771088 -2.592277
H -3.063477 4.080948 -0.545966
H 5.041080 2.609144 0.527091
H 6.636203 1.973835 1.031310
H 6.510060 3.040796 -0.394870
H 7.590627 -2.040840 1.343032
H 7.904482 -0.674756 0.242503
H 7.030975 -2.115423 -0.361219
H -2.208570 2.349141 3.344800
H -4.490483 -2.742380 -1.050194
H -2.976140 4.298508 1.949156
H -5.815417 -2.220496 1.745245
H -6.368686 -1.466070 0.219985
H -6.556019 -3.218987 0.455563


