%chk=000153044.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153044

1 1
 N   0.3343000      0.7138000      0.3377000    
 N   -1.125100       4.872500      -1.809100    
 N    4.778000       2.511100      0.5011000    
 N   -1.741400      -4.902800     -0.5569000    
 C  -0.5707000     -0.2581000      0.2009000    
 C    1.659700      0.5086000      0.2590000    
 C  -0.1781000      -1.569200     -3.6499999E-02
 C  -0.1633000       2.085900      0.5899000    
 C    2.147800     -0.7980000      1.9200001E-02
 C    1.201200      -1.864900     -0.1324000    
 C  -0.3792000       2.796900     -0.7418000    
 C   -1.955300      0.1626000      0.3173000    
 C    2.529600       1.598200      0.4171000    
 C   -1.143600      -2.579600     -0.1779000    
 C    3.554700     -0.9437000     -5.1899999E-02
 C    1.550200      -3.216000     -0.3751000    
 C  -0.9041000       4.214200     -0.5271000    
 C    3.905800       1.415100      0.3406000    
 C  -0.7639000      -3.897000     -0.4159000    
 C    4.418300      0.1454000      0.1062000    
 C   0.5831000      -4.215500     -0.5143000    
 C   -2.578200      0.1593000       1.562500    
 C   -2.653800      0.5653000     -0.8179000    
 C   -3.909100      0.5617000       1.673500    
 C   -3.984700      0.9680000     -0.7069000    
 C   -4.612400      0.9662000      0.5387000    
 H   0.4969000       2.628700       1.269900    
 H   -1.076600       2.094800       1.185100    
 H   0.5795000       2.860700      -1.273400    
 H   -1.032300       2.262100      -1.425200    
 H    2.213000       2.623900      0.5584000    
 H   -2.207900      -2.365800     -0.1066000    
 H    4.009400      -1.914300     -0.2331000    
 H    2.590600      -3.519400     -0.4610000    
 H  -0.1860000       4.798700      5.7799999E-02
 H   -1.847400       4.187400      2.9700000E-02
 H    5.491500     -1.7100001E-02  4.3400001E-02
 H   0.9007000      -5.238400     -0.6999000    
 H   -2.043700     -0.1543000       2.456000    
 H   -2.199600      0.5261000      -1.804800    
 H   -4.398100      0.5595000       2.643200    
 H   -4.535600       1.272100      -1.592100    
 H   -1.817800       4.353400      -2.347100    
 H   -1.522400       5.797500      -1.649700    
 H    5.778300       2.374100      0.4432000    
 H    4.405500       3.435900      0.6707000    
 H   -2.722800      -4.669500     -0.4844000    
 H   -1.462200      -5.859400     -0.7291000    
 H   -5.649400       1.277200      0.6247000    


%chk=000153044-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153044

1 1
N 0.238463 0.796594 0.321266
N -0.633177 5.279780 -1.731245
N 4.842235 2.506357 0.329010
N -1.673656 -5.009624 -0.436501
C -0.667875 -0.229516 0.215758
C 1.644169 0.585094 0.216858
C -0.230859 -1.580360 0.000033
C -0.257086 2.199498 0.533734
C 2.122031 -0.759453 0.012126
C 1.186797 -1.852459 -0.101100
C -0.274218 3.034043 -0.766106
C -2.131650 0.073086 0.334297
C 2.549504 1.671782 0.320620
C -1.187262 -2.635609 -0.113024
C 3.540754 -0.940427 -0.071811
C 1.580656 -3.211445 -0.313285
C -0.675843 4.502595 -0.485432
C 3.945681 1.459154 0.232521
C -0.772121 -3.966178 -0.322441
C 4.430019 0.119653 0.034603
C 0.642076 -4.232203 -0.420138
C -2.781201 -0.045085 1.591472
C -2.888161 0.416055 -0.816353
C -4.167425 0.205310 1.698328
C -4.275396 0.660176 -0.704741
C -4.916227 0.560879 0.552064
H 0.380215 2.668553 1.302880
H -1.272159 2.134212 0.951036
H 0.709585 3.034484 -1.266155
H -0.997064 2.586536 -1.475372
H 2.193423 2.693887 0.457447
H -2.252870 -2.401762 -0.036491
H 3.946322 -1.943667 -0.222917
H 2.638685 -3.471491 -0.397626
H 0.052663 4.951014 0.218476
H -1.666355 4.516516 0.032217
H 5.508642 -0.059468 -0.033994
H 0.979482 -5.262491 -0.583946
H -2.205808 -0.331822 2.479044
H -2.399161 0.473560 -1.795470
H -4.660754 0.117939 2.671783
H -4.853677 0.921094 -1.597101
H -1.355430 5.041890 -2.416208
H -0.521968 6.289470 -1.615555
H 5.843952 2.344219 0.259145
H 4.529025 3.465244 0.459619
H -2.675915 -4.849779 -0.372620
H -1.356629 -5.963532 -0.589670
H -5.991029 0.751597 0.636664


