%chk=000020598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020598

0 1
 N    1.946600       2.257500     -0.7514000    
 N   -2.504000      -1.294700      0.5249000    
 C    2.851500       1.360300      -1.462300    
 C    2.631000       3.241300      8.2699999E-02
 C    3.379200      0.1285000     -0.7236000    
 C    3.404000       2.726000       1.297200    
 C   0.8307000       1.595100     -9.3999997E-02
 C    3.980700      0.3312000      0.6663000    
 C    4.512800       1.725400      0.9748000    
 C  -6.1600000E-02  0.8792000      -1.111100    
 C   -1.234500      0.2069000     -0.4602000    
 C   -2.493600      0.8022000     -0.2366000    
 C   -1.255200      -1.072800      9.6000005E-03
 C   -3.281500     -0.1669000      0.3882000    
 C  -0.2365000      -2.096500      2.6300000E-02
 C   -3.055200       2.067700     -0.4982000    
 C   -4.608400      6.7299999E-02  0.7660000    
 C   -4.381300       2.316200     -0.1256000    
 C   -5.144200       1.329900      0.4965000    
 C   0.6285000      -2.198600       1.114800    
 C  -0.1193000      -2.980000      -1.045800    
 C    1.613300      -3.186400       1.131200    
 C   0.8655000      -3.967800      -1.029100    
 C    1.731700      -4.070900      5.9400000E-02
 H    3.709000       1.936900      -1.835700    
 H    2.363400       1.019300      -2.384100    
 H    1.896500       3.979100      0.4317000    
 H    3.318100       3.820200     -0.5490000    
 H    4.153900     -0.3177000      -1.362000    
 H    2.595800     -0.6343000     -0.6585000    
 H    2.711700       2.297900       2.032300    
 H    3.863900       3.594000       1.787100    
 H    1.160900      0.9017000      0.6866000    
 H   0.2149000       2.347500      0.4173000    
 H    4.798600     -0.3912000      0.7859000    
 H    3.239300      5.1800001E-02   1.425100    
 H    5.152400       1.646300       1.863300    
 H    5.153700       2.092300      0.1652000    
 H   0.4956000      0.1209000      -1.672200    
 H  -0.4231000       1.597900      -1.858200    
 H   -2.815600      -2.159300      0.9462000    
 H   -2.474700       2.848500     -0.9810000    
 H   -5.203100     -0.6999000       1.250500    
 H   -4.819700       3.290600     -0.3244000    
 H   -6.172100       1.544500      0.7773000    
 H   0.5506000      -1.515600       1.957300    
 H  -0.7861000      -2.912000      -1.902000    
 H    2.288900      -3.265400       1.977900    
 H   0.9583000      -4.656300      -1.863900    
 H    2.499000      -4.839400      7.1800001E-02


%chk=000020598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020598

0 1
N 1.971973 2.314028 -0.570187
N -2.689844 -1.442343 0.321687
C 3.033752 1.641384 -1.345633
C 2.432333 3.452147 0.253455
C 3.880376 0.536870 -0.634190
C 3.317695 3.129284 1.491312
C 0.932816 1.460401 0.028337
C 4.323749 0.833828 0.827417
C 4.600559 2.320888 1.174588
C 0.129004 0.657276 -1.036401
C -1.119811 0.029018 -0.467417
C -2.372195 0.735219 -0.265153
C -1.341801 -1.309523 -0.090025
C -3.335058 -0.207610 0.240601
C -0.467351 -2.494034 -0.119184
C -2.773249 2.081473 -0.479808
C -4.660794 0.161400 0.557348
C -4.095734 2.455120 -0.172521
C -5.028246 1.506224 0.344690
C 0.925231 -2.397939 0.160738
C -1.003819 -3.781453 -0.417410
C 1.750584 -3.541144 0.130404
C -0.179414 -4.925924 -0.433825
C 1.204503 -4.812544 -0.163285
H 3.713371 2.440120 -1.700190
H 2.589271 1.190530 -2.255761
H 1.536867 4.011343 0.592113
H 3.001275 4.132767 -0.413267
H 4.776734 0.370750 -1.266782
H 3.322828 -0.421777 -0.646524
H 2.721028 2.570267 2.241466
H 3.592978 4.094310 1.966545
H 1.328562 0.739959 0.789320
H 0.228928 2.120137 0.571136
H 5.232225 0.234774 1.038382
H 3.550022 0.466364 1.532432
H 5.261827 2.353801 2.063645
H 5.164103 2.810328 0.352865
H 0.774362 -0.114796 -1.494540
H -0.143196 1.367742 -1.840809
H -3.074533 -2.285598 0.742423
H -2.065679 2.816882 -0.879647
H -5.383759 -0.564158 0.947001
H -4.420404 3.489566 -0.331148
H -6.049638 1.828658 0.576554
H 1.350382 -1.428894 0.440208
H -2.064480 -3.879882 -0.678927
H 2.819149 -3.442462 0.353092
H -0.613162 -5.903955 -0.670995
H 1.845977 -5.700421 -0.179628


