%chk=000045597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045597

0 1
 N    2.144900     -8.7000001E-03 -6.2199999E-02
 N   -3.341400      -1.579500      -1.332300    
 C    2.947400      0.9350000     -0.8416000    
 C    2.716100      -1.353600     -0.1478000    
 C   0.7609000     -8.9999996E-03 -0.5241000    
 C    2.469900       2.388100     -0.6772000    
 C    4.154100      -1.416900      0.3952000    
 C  -0.1156000     -0.9925000      0.2747000    
 C   -1.513000      -1.024100     -0.2029000    
 C    2.510100       2.780800      0.8022000    
 C    3.304900       3.376900      -1.494800    
 C    4.178100     -0.9417000       1.850400    
 C    4.755500      -2.821700      0.3027000    
 C   -2.584200     -0.2071000      0.2552000    
 C   -2.009600      -1.857500      -1.178500    
 C   -3.719600     -0.5756000     -0.4695000    
 C   -2.697100      0.8139000       1.219700    
 C   -4.967400      2.8100001E-02 -0.2771000    
 C   -3.938800       1.426800       1.423000    
 C   -5.055200       1.038400      0.6850000    
 H    2.941900      0.6661000      -1.906600    
 H    3.993500      0.9428000     -0.5252000    
 H    2.698600      -1.722600      -1.182100    
 H    2.157100      -2.069600      0.4604000    
 H   0.2996000      0.9750000     -0.3940000    
 H   0.7029000     -0.2501000      -1.594600    
 H    1.444700       2.504900      -1.043400    
 H    4.829600     -0.7891000     -0.1933000    
 H  -8.4299996E-02 -0.7362000       1.341300    
 H   0.2450000      -2.022500      0.1924000    
 H    3.518200       2.671900       1.216900    
 H    2.210300       3.827100      0.9297000    
 H    1.824700       2.177200       1.405500    
 H    4.354000       3.365400      -1.180200    
 H    2.926900       4.398200      -1.379300    
 H    3.268100       3.123400      -2.559500    
 H    3.509900      -1.542300       2.477400    
 H    5.188500      -1.027900       2.265700    
 H    3.883700      0.1076000       1.945700    
 H    4.176600      -3.540600      0.8925000    
 H    5.786500      -2.832100      0.6720000    
 H    4.767200      -3.168000     -0.7361000    
 H   -1.536700      -2.622700      -1.778300    
 H   -3.958100      -2.043500      -1.984900    
 H   -1.836600       1.129900       1.802600    
 H   -5.837000     -0.2735000     -0.8511000    
 H   -4.031800       2.215200       2.165200    
 H   -6.010000       1.527900      0.8591000    


%chk=000045597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045597

0 1
N 2.159604 -0.113909 -0.344075
N -3.581536 -1.950447 -0.625895
C 2.744563 1.103370 -0.963963
C 3.015157 -1.318194 -0.504541
C 0.743139 -0.336100 -0.725281
C 2.338409 2.424419 -0.257910
C 4.166658 -1.402185 0.532041
C -0.069558 -1.065928 0.380931
C -1.538849 -1.160877 0.050903
C 2.912019 2.489631 1.174678
C 2.790895 3.638264 -1.102877
C 3.613158 -1.623651 1.956625
C 5.165975 -2.513587 0.134253
C -2.505389 -0.073594 0.104938
C -2.235184 -2.283168 -0.397138
C -3.776932 -0.597473 -0.324995
C -2.419867 1.292392 0.486536
C -4.942420 0.198549 -0.386026
C -3.577964 2.091666 0.428800
C -4.825491 1.550984 -0.005068
H 2.476972 1.172549 -2.049469
H 3.848297 1.018609 -0.918410
H 3.446831 -1.371711 -1.536380
H 2.380330 -2.218163 -0.384882
H 0.272345 0.646855 -0.906507
H 0.650294 -0.908337 -1.681733
H 1.230329 2.449550 -0.186817
H 4.705060 -0.431307 0.520183
H 0.085159 -0.507918 1.324557
H 0.349633 -2.077358 0.541425
H 4.017973 2.554545 1.148151
H 2.534760 3.376040 1.718072
H 2.634622 1.582885 1.740517
H 3.891902 3.643524 -1.224125
H 2.503716 4.588732 -0.616673
H 2.338729 3.621085 -2.112742
H 3.146733 -2.625299 2.042309
H 4.415393 -1.558383 2.715098
H 2.845033 -0.864959 2.188551
H 4.665093 -3.501257 0.105709
H 5.994872 -2.581253 0.862820
H 5.603978 -2.327857 -0.865069
H -1.871793 -3.295533 -0.566896
H -4.300809 -2.593500 -0.947889
H -1.468470 1.717199 0.828275
H -5.904300 -0.211690 -0.714284
H -3.527198 3.146235 0.722181
H -5.708876 2.198554 -0.040011


