%chk=000043991.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043991

0 1
 O   -5.838800      -1.098200     -0.2004000    
 O   -5.881500       1.094700     -0.2925000    
 N   0.8794000      0.1192000     -0.5093000    
 N   0.2964000      0.1543000      0.5990000    
 N    6.425000      0.3176000      0.2467000    
 N   -5.257900      1.3400000E-02 -0.1635000    
 C    2.996800      -1.024700     -0.1727000    
 C    2.266400      0.1545000     -0.3199000    
 C    4.377900     -0.9706000      1.5600000E-02
 C    5.028400      0.2625000      5.6499999E-02
 C    2.916900       1.387700     -0.2788000    
 C    4.298000       1.441600     -9.0800002E-02
 C    2.321700      -2.356700     -0.2121000    
 C   -1.095700      0.1192000      0.4094000    
 C   -3.851800      4.8900001E-02  3.0700000E-02
 C   -1.755800      -1.104900      0.3669000    
 C   -1.803300       1.308400      0.2639000    
 C   -3.137300      -1.140100      0.1770000    
 C   -3.184800       1.273100      7.4199997E-02
 H    4.951100      -1.887600      0.1323000    
 H    2.357100       2.312400     -0.3932000    
 H    4.793400       2.408700     -6.0899999E-02
 H    3.045500      -3.178400     -0.2441000    
 H    1.700900      -2.495100      0.6789000    
 H    1.695600      -2.447900      -1.106000    
 H   -1.206500      -2.035700      0.4803000    
 H   -1.291000       2.266300      0.2969000    
 H   -3.623400      -2.111900      0.1484000    
 H   -3.708500       2.219300     -3.6200002E-02
 H    6.955400     -0.5367000      0.3543000    
 H    6.896700       1.211600      0.2771000    


%chk=000043991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043991

0 1
O -6.139924 -0.529724 1.013446
O -6.084993 0.521534 -1.015034
N 0.962800 -0.372689 -0.118058
N 0.164824 0.501170 0.435903
N 6.539321 0.363274 0.382334
N -5.503586 0.036357 0.036664
C 3.231676 -1.096168 -0.562194
C 2.353244 -0.130878 0.037796
C 4.620085 -0.910045 -0.436569
C 5.167593 0.202367 0.270359
C 2.898294 0.984113 0.743626
C 4.276762 1.155037 0.864405
C 2.683088 -2.298322 -1.305700
C -1.239199 0.307458 0.293376
C -4.035195 0.133223 0.126805
C -1.979435 -0.297998 1.347546
C -1.919732 0.835369 -0.839723
C -3.378143 -0.392254 1.264571
C -3.318714 0.745954 -0.928036
H 5.299959 -1.639875 -0.893619
H 2.199155 1.700864 1.187782
H 4.687131 2.013727 1.409439
H 3.493211 -2.854108 -1.808136
H 2.164993 -2.986326 -0.612565
H 1.932419 -1.996869 -2.055391
H -1.445560 -0.691359 2.218015
H -1.340676 1.305827 -1.640340
H -3.970808 -0.864452 2.052659
H -3.866592 1.131217 -1.792152
H 7.181291 -0.305121 -0.035852
H 6.933011 1.153598 0.886343


