%chk=000084566.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084566

0 1
 O   2.4999999E-03 -3.5799999E-02   1.392300    
 N    2.383500      1.4800000E-02 -1.7400000E-02
 N   -2.384300      1.4500000E-02 -1.5900001E-02
 N    1.143100      3.7599999E-02 -0.6282000    
 N   -1.143500      3.7400000E-02 -0.6256000    
 C    5.300600     -2.3900000E-02  8.0000004E-03
 C   -5.301500     -2.3900000E-02  7.1000000E-03
 C    4.502900       1.236500      0.3253000    
 C    4.470100      -1.269600      0.2978000    
 C   -4.504200       1.236900      0.3243000    
 C   -4.471200      -1.269400      0.2982000    
 C    3.140300       1.222000     -0.3691000    
 C    3.108200      -1.203900     -0.3954000    
 C   -3.140600       1.221700     -0.3685000    
 C   -3.109000      -1.204100     -0.3943000    
 C   3.0000000E-03  9.2000002E-03  0.1617000    
 H    5.591200     -1.6100001E-02  -1.049700    
 H    6.224600     -4.2500000E-02  0.5962000    
 H   -6.226000     -4.2100001E-02  0.5945000    
 H   -5.591300     -1.6700000E-02  -1.050900    
 H    4.361200       1.315500       1.410700    
 H    5.069000       2.120900      1.1800000E-02
 H    5.012700      -2.161400     -3.5500001E-02
 H    4.326200      -1.368800       1.381300    
 H   -5.069900       2.121000      9.3999999E-03
 H   -4.363700       1.316600       1.409800    
 H   -4.328000      -1.367900       1.381900    
 H   -5.013600      -2.161500     -3.4899998E-02
 H    2.583700       2.113800     -5.4900002E-02
 H    3.280400       1.294500      -1.456200    
 H    3.246200      -1.256500      -1.484000    
 H    2.528400      -2.087600     -0.1004000    
 H   -3.279500       1.294100      -1.455800    
 H   -2.584100       2.113500     -5.3900000E-02
 H   -2.529500      -2.087700     -9.8800004E-02
 H   -3.246400      -1.256800      -1.482900    
 H    1.091900      7.2200000E-02  -1.641500    
 H   -1.093200      7.1800001E-02  -1.639100    


%chk=000084566-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084566

0 1
O -0.000291 0.079836 1.374722
N 2.447365 0.092119 -0.109315
N -2.447890 0.092548 -0.109332
N 1.162096 0.186991 -0.681568
N -1.162600 0.187132 -0.681611
C 5.357215 -0.123937 0.055733
C -5.357733 -0.123864 0.055551
C 4.619587 1.200296 0.358860
C 4.433166 -1.326580 0.355468
C -4.620373 1.200788 0.357502
C -4.433510 -1.326057 0.356548
C 3.287147 1.278774 -0.415861
C 3.106178 -1.203930 -0.421052
C -3.287850 1.278758 -0.417123
C -3.106444 -1.203922 -0.419915
C -0.000260 0.144281 0.122977
H 5.656803 -0.144534 -1.013139
H 6.286003 -0.192391 0.652516
H -6.286583 -0.191909 0.652285
H -5.657187 -0.145533 -1.013338
H 4.400139 1.262488 1.441479
H 5.247140 2.071878 0.091127
H 4.926254 -2.280477 0.087246
H 4.204723 -1.357462 1.437618
H -5.248043 2.072007 0.088859
H -4.401079 1.264056 1.440091
H -4.205190 -1.355860 1.438754
H -4.926397 -2.280300 0.089189
H 2.715754 2.177067 -0.126324
H 3.503731 1.346162 -1.516083
H 3.310254 -1.297645 -1.521516
H 2.409859 -2.010237 -0.133470
H -3.504310 1.345051 -1.517436
H -2.716647 2.177429 -0.128385
H -2.410021 -2.009824 -0.131449
H -3.310327 -1.298734 -1.520321
H 1.079734 0.192343 -1.710918
H -1.080213 0.191494 -1.710967


