%chk=000164345.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164345

0 1
 P    1.492500       1.321200     -0.3746000    
 P    1.420500      -1.347600      0.2776000    
 P  -0.8697000      5.8899999E-02 -4.0000002E-03
 N    2.318500       2.157100      -1.530400    
 N    1.429600       2.242200      0.9908000    
 N    1.240900      -2.260400      -1.083300    
 N    2.237900      -2.236400       1.399500    
 N    2.282900     -3.9700001E-02 -6.5600000E-02
 N   7.3000002E-03   1.037600     -0.9134000    
 N  -1.9500000E-02 -0.9683000      0.8772000    
 N   -1.955200      0.8994000      0.9226000    
 N   -2.028300     -0.7203000     -0.8950000    
 C    2.473000       1.507600      -2.831900    
 C    3.640300       1.650500      -1.899600    
 C    2.707200       2.590800       1.610200    
 C    1.897800       3.623000      0.8809000    
 C   0.5344000      -3.532900     -0.9370000    
 C    2.018000      -3.497400      -1.160900    
 C    2.487900      -1.598700       2.691300    
 C    3.603400      -1.816500       1.711300    
 C   -3.277100      0.5923000      0.5602000    
 C   -3.319300     -0.3441000     -0.4891000    
 C   -4.438400       1.098600       1.113300    
 C   -4.523600     -0.7887000      -1.002300    
 C   -5.659300      0.6534000      0.6003000    
 C   -5.701500     -0.2816000     -0.4480000    
 H    2.422600       2.164400      -3.689100    
 H    2.032600      0.5282000      -2.957500    
 H    4.038600      0.7604000      -1.437300    
 H    4.377000       2.410400      -2.127000    
 H    3.610700       2.219700       1.147100    
 H    2.708100       2.614900       2.691200    
 H    1.348900       4.342500       1.476100    
 H    2.288300       4.019100     -4.3099999E-02
 H  -9.9799998E-02  -3.810000      -1.767700    
 H   0.1650000      -3.791300      4.5699999E-02
 H    2.664000      -3.812900     -0.3571000    
 H    2.382400      -3.748800      -2.149400    
 H    2.431300      -2.251100       3.551600    
 H    2.117400     -0.5929000       2.833100    
 H    4.038900     -0.9534000       1.231500    
 H    4.298800      -2.622000       1.910500    
 H   -1.805500       1.567000       1.669900    
 H   -1.938900      -1.394800      -1.645700    
 H   -4.411700       1.820300       1.922600    
 H   -4.561800      -1.510200      -1.811300    
 H   -6.588700       1.033900       1.015800    
 H   -6.663000     -0.6132000     -0.8310000    


%chk=000164345-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164345

0 1
P 1.657678 1.332162 -0.215399
P 1.448176 -1.537847 0.314579
P -1.018012 0.071004 0.064875
N 2.382270 2.043291 -1.703196
N 2.043065 2.497992 1.070237
N 1.689656 -2.525258 -1.152213
N 2.052453 -2.561721 1.654728
N 2.428295 -0.143339 0.187447
N -0.032092 1.357573 -0.482951
N -0.232908 -1.362324 0.581055
N -2.229199 0.438141 1.275377
N -2.302377 -0.103623 -1.111503
C 2.417309 1.151467 -2.928290
C 3.702703 1.450862 -2.183536
C 3.195313 3.474740 0.924016
C 1.761957 3.966116 0.822041
C 1.262858 -3.979046 -1.134707
C 2.737905 -3.621923 -1.190704
C 2.107127 -1.940168 3.033512
C 3.394765 -2.190837 2.274564
C -3.556367 0.426300 0.797371
C -3.599707 0.103565 -0.597475
C -4.742626 0.675129 1.511521
C -4.829216 0.032128 -1.277490
C -5.980400 0.600505 0.822858
C -6.023042 0.285081 -0.554388
H 2.188379 1.672807 -3.862155
H 2.015416 0.133413 -2.835445
H 4.125211 0.634025 -1.584969
H 4.405677 2.193732 -2.573655
H 3.778506 3.456400 -0.003024
H 3.765162 3.626909 1.845328
H 1.292416 4.473782 1.670016
H 1.397185 4.255278 -0.170213
H 0.738866 -4.298376 -2.040640
H 0.878965 -4.383245 -0.191052
H 3.326675 -3.808283 -0.285781
H 3.283548 -3.683389 -2.136929
H 1.798192 -2.615274 3.836629
H 1.786757 -0.895942 3.137350
H 3.901087 -1.309859 1.861009
H 4.021290 -3.053135 2.523313
H -1.996265 0.552959 2.258585
H -2.114181 -0.242615 -2.101164
H -4.711466 0.923111 2.578214
H -4.864371 -0.216073 -2.344004
H -6.910885 0.791260 1.368221
H -6.986350 0.232747 -1.072961


