%chk=000044064.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044064

0 1
 N    2.636400      0.3975000       1.821200    
 N    4.922300     -0.9804000     -0.7795000    
 C   -2.147600     -0.4222000      -2.060300    
 C   -1.021700      0.6128000      -2.053000    
 C   -2.271200      -1.385600     -0.8930000    
 C   -1.236100       1.668000     -0.9983000    
 C  -0.8405000     -6.0300000E-02  0.7497000    
 C   -1.683400      -1.228800      0.3819000    
 C   -1.150000       1.332300      0.3630000    
 C   0.3279000     -0.2615000       1.389800    
 C   -3.091300      -2.512700      -1.124900    
 C   -1.529200       2.989500      -1.364200    
 C    1.246100      0.8403000       1.802600    
 C   -1.949100      -2.197900       1.374700    
 C   -1.365100       2.319100       1.337300    
 C    3.050200     -6.6200003E-02  0.5049000    
 C    4.513000     -0.4990000      0.5353000    
 C   -3.325300      -3.465800     -0.1360000    
 C   -1.737000       3.964600     -0.3888000    
 C   -2.754500      -3.306800       1.117000    
 C   -1.656100       3.629700      0.9602000    
 C    6.314200      -1.432400     -0.7516000    
 C    4.748000      6.5899998E-02  -1.788100    
 H   -2.007900      -1.024600      -2.968600    
 H   -3.111800      9.3599997E-02  -2.166400    
 H  -0.9822000       1.089600      -3.040900    
 H  -4.3099999E-02  0.1363000      -1.913400    
 H   0.6156000      -1.269200       1.686500    
 H    1.198300       1.729200       1.166900    
 H   0.9898000       1.143300       2.824100    
 H   -3.562300      -2.650000      -2.096900    
 H   -1.601000       3.268100      -2.412500    
 H   -1.539000      -2.093900       2.378000    
 H   -1.326300       2.076800       2.396900    
 H    2.450800     -0.9190000      0.1654000    
 H    2.897000      0.7608000     -0.1962000    
 H    3.233700       1.167300       2.121900    
 H    5.147800      0.3345000      0.8661000    
 H    4.627800      -1.305400       1.271500    
 H   -3.959000      -4.322500     -0.3440000    
 H   -1.965200       4.985200     -0.6822000    
 H   -2.940100      -4.037400       1.898500    
 H   -1.824100       4.388200       1.719300    
 H    6.444000      -2.234600     -1.6500000E-02
 H    7.007900     -0.6208000     -0.5032000    
 H    6.603900      -1.849900      -1.722400    
 H    5.213700     -0.2364000      -2.734500    
 H    5.199500       1.018800      -1.488700    
 H    3.694000      0.2236000      -2.036600    


%chk=000044064-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044064

0 1
N 2.655337 0.188224 1.845897
N 4.992755 -0.550606 -1.061897
C -2.078312 -0.634059 -2.073966
C -0.929426 0.403974 -2.047070
C -2.337253 -1.455777 -0.805507
C -1.222657 1.547025 -1.094574
C -0.843337 -0.070653 0.813013
C -1.769127 -1.211828 0.485222
C -1.192024 1.298367 0.307221
C 0.250336 -0.292122 1.608083
C -3.210928 -2.565671 -0.963983
C -1.547402 2.842255 -1.562890
C 1.284934 0.718157 2.062385
C -2.113890 -2.093563 1.553907
C -1.489359 2.353263 1.206654
C 3.092163 0.157672 0.432298
C 4.470597 -0.523669 0.324546
C -3.537644 -3.429067 0.099358
C -1.847052 3.889248 -0.660848
C -2.978498 -3.189646 1.375211
C -1.818926 3.642281 0.730302
C 5.990524 -1.620470 -1.267316
C 5.502825 0.758537 -1.518237
H -1.884189 -1.346338 -2.900629
H -3.015789 -0.104152 -2.343024
H -0.789222 0.794054 -3.072340
H 0.012844 -0.102574 -1.759629
H 0.473377 -1.320046 1.927834
H 1.112102 1.699379 1.562077
H 1.170259 0.886643 3.153563
H -3.636792 -2.753755 -1.958308
H -1.560571 3.031862 -2.643425
H -1.709491 -1.883282 2.549966
H -1.480541 2.151436 2.284033
H 2.361998 -0.433238 -0.149190
H 3.120214 1.176909 -0.026912
H 3.344049 0.668241 2.441331
H 5.191497 -0.020413 1.026439
H 4.358215 -1.563665 0.679978
H -4.217810 -4.272656 -0.062766
H -2.099144 4.886283 -1.039476
H -3.223967 -3.839566 2.222473
H -2.052986 4.444760 1.438769
H 5.550782 -2.597436 -0.999830
H 6.924700 -1.482851 -0.663616
H 6.280135 -1.656886 -2.333339
H 5.800764 0.690102 -2.580016
H 6.391553 1.109419 -0.931181
H 4.716177 1.527598 -1.438589


