%chk=000089407.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089407

0 1
 O   -2.720400      0.7668000       1.003100    
 O    2.899200     -0.1902000     -0.7234000    
 O    3.187800      0.5098000       1.459100    
 N  -0.7185000      0.4047000     -0.1881000    
 C   -1.753700     -0.2333000      0.6290000    
 C   -2.470500      -1.332500     -0.1403000    
 C  -0.7295000       1.781100      0.2970000    
 C   0.5905000     -0.2179000     -5.0600000E-02
 C   -2.214900       2.005100      0.4856000    
 C    1.661900      0.5062000     -0.8694000    
 C   -3.621300      -1.910200      0.6844000    
 C   -2.987200     -0.8087000      -1.480800    
 C    1.338900      0.5651000      -2.356900    
 C    3.371500     -0.2920000      0.5533000    
 C    4.166600      -1.554100      0.6981000    
 H   -1.347200     -0.6266000       1.570100    
 H   -1.763600      -2.146400     -0.3467000    
 H  -0.3083000       2.501800     -0.4095000    
 H  -0.2150000       1.875500       1.261900    
 H   0.8706000     -0.2729000       1.007900    
 H   0.5395000      -1.260500     -0.3916000    
 H   -2.432700       2.810700       1.192100    
 H   -2.722100       2.216000     -0.4626000    
 H    1.813800       1.532500     -0.5132000    
 H   -4.411300      -1.172700      0.8616000    
 H   -4.075200      -2.760700      0.1641000    
 H   -3.263500      -2.268500       1.655500    
 H   -3.692900      1.8999999E-02  -1.354200    
 H   -3.515600      -1.605100      -2.017300    
 H   -2.175600     -0.4744000      -2.134800    
 H   0.4382000       1.150900      -2.561200    
 H    1.202300     -0.4420000      -2.766500    
 H    2.172000       1.014900      -2.908400    
 H    5.018200      -1.536500      1.3600000E-02
 H    3.528400      -2.418500      0.4977000    
 H    4.543900      -1.629500       1.721900    


%chk=000089407-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089407

0 1
O -2.850757 0.855361 1.052509
O 2.819583 -0.690245 -0.523357
O 3.422309 0.963600 1.014657
N -0.747678 0.407570 0.058056
C -1.972877 -0.250729 0.608555
C -2.692975 -1.158485 -0.416120
C -0.686885 1.765652 0.663116
C 0.482188 -0.396440 0.183161
C -2.175997 2.134115 0.727572
C 1.551341 0.054252 -0.839107
C -3.834298 -1.935247 0.280382
C -3.205675 -0.355957 -1.630161
C 1.200844 -0.281856 -2.286013
C 3.664702 -0.122457 0.438204
C 4.870472 -1.007263 0.669681
H -1.738360 -0.845721 1.527118
H -1.933433 -1.889559 -0.770476
H -0.108738 2.461176 0.030562
H -0.229677 1.749399 1.680717
H 0.916430 -0.330950 1.210401
H 0.239632 -1.456863 -0.014685
H -2.419747 2.852009 1.527616
H -2.539058 2.514258 -0.247293
H 1.762339 1.131518 -0.706585
H -4.581334 -1.230241 0.687422
H -4.344709 -2.607506 -0.433063
H -3.455439 -2.551176 1.118493
H -3.998290 0.346657 -1.315147
H -3.627772 -1.032702 -2.395348
H -2.385078 0.224605 -2.087658
H 0.219054 0.160606 -2.528076
H 1.137773 -1.375763 -2.426376
H 1.958358 0.116574 -2.982208
H 5.247508 -1.410668 -0.283798
H 4.583612 -1.865503 1.304344
H 5.656934 -0.435120 1.183405


