%chk=000080121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080121

0 1
 N   -2.102700      -1.195500      0.3100000    
 N   -2.122600       1.204000      0.3138000    
 N   -4.025500     -1.0300000E-02 -0.4998000    
 N   -3.977700      -2.355000     -0.4895000    
 N   -4.016500       2.334600     -0.4822000    
 C    2.333300     -3.7900001E-02  0.7031000    
 C    3.418300      5.7000001E-03 -0.3750000    
 C   0.9335000      2.9100001E-02  8.4200002E-02
 C    4.817200     -2.7200000E-02  0.2428000    
 C  -0.1859000      1.9099999E-02   1.131500    
 C    5.901500      5.0500002E-02 -0.8317000    
 C   -1.573300      8.3999997E-03  0.5407000    
 C    7.293600     -1.5300000E-02 -0.2241000    
 C   -3.337300      -1.127200     -0.2137000    
 C   -3.355900       1.117000     -0.2101000    
 H    2.466000      0.8033000       1.394100    
 H    2.431600     -0.9588000       1.290300    
 H    3.304000      0.9180000     -0.9732000    
 H    3.295600     -0.8453000      -1.055900    
 H   0.8002000     -0.8202000     -0.5982000    
 H   0.8457000      0.9356000     -0.5283000    
 H    4.939000     -0.9495000      0.8238000    
 H    4.932500      0.8116000      0.9402000    
 H  -8.4399998E-02  0.8949000       1.784600    
 H  -7.4299999E-02 -0.8605000       1.778100    
 H    5.798700      0.9836000      -1.397800    
 H    5.781300     -0.7754000      -1.542500    
 H    7.439800     -0.9531000      0.3213000    
 H    7.458400      0.8153000      0.4697000    
 H    8.053300      4.2500000E-02  -1.009900    
 H   -4.908400      -2.352700     -0.8834000    
 H   -3.497900      -3.221600     -0.2892000    
 H   -3.551500       3.208500     -0.2790000    
 H   -4.947300       2.318100     -0.8757000    


%chk=000080121-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080121

0 1
N -2.250118 -1.270563 0.427223
N -2.074701 1.145675 0.271878
N -4.084824 0.020185 -0.555755
N -4.191487 -2.313298 -0.370034
N -3.848052 2.347947 -0.678893
C 2.319534 -0.076542 0.718495
C 3.422613 0.066177 -0.354545
C 0.893975 -0.018498 0.127253
C 4.853725 -0.010444 0.224123
C -0.207057 -0.143869 1.217356
C 5.956039 0.140191 -0.849143
C -1.590414 -0.087332 0.617131
C 7.382908 0.056587 -0.264783
C -3.493313 -1.151844 -0.163429
C -3.324129 1.135024 -0.312838
H 2.436924 0.727578 1.474887
H 2.455234 -1.036392 1.259319
H 3.293138 1.032331 -0.885760
H 3.294459 -0.728170 -1.119508
H 0.765298 -0.834217 -0.612240
H 0.749451 0.936002 -0.415869
H 4.986086 -0.979402 0.749867
H 4.982495 0.779815 0.993387
H -0.096613 0.687788 1.937475
H -0.094672 -1.101851 1.754056
H 5.824627 1.109832 -1.371630
H 5.823838 -0.647434 -1.619124
H 7.546967 -0.914019 0.240722
H 7.552837 0.855137 0.482108
H 8.151706 0.161580 -1.052540
H -5.111901 -2.273069 -0.799709
H -3.771385 -3.193800 -0.083955
H -3.302832 3.188558 -0.506803
H -4.768058 2.384638 -1.109723


