%chk=000022389.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022389

1 1
 O   -1.085600     -9.4700001E-02  0.8277000    
 O   -1.517900     -0.6362000      -1.380000    
 N    3.512000      0.8348000     -0.3945000    
 N   -3.227600      0.2671000     -8.7399997E-02
 C    2.428900     -0.1402000      7.3500000E-02
 C    4.088500      0.3311000      -1.714600    
 C    4.596600      0.9148000      0.6763000    
 C    2.963400       2.242000     -0.6210000    
 C    1.179000      0.3593000      0.2264000    
 C    2.811600      -1.420500      0.2957000    
 C   0.1921000     -0.5293000      0.6530000    
 C    1.824600      -2.309000      0.7224000    
 C   0.5149000      -1.863400      0.9012000    
 C   -4.206400      0.2322000      -1.164600    
 C   -3.699300      0.7920000       1.189900    
 C   -1.923200     -0.1894000     -0.3075000    
 C   -4.964900      -1.084200      -1.174900    
 C   -3.486600       2.293700       1.278500    
 H    3.270200      0.2116000      -2.431900    
 H    4.802000       1.076800      -2.080000    
 H    4.613800     -0.6148000      -1.556800    
 H    5.102800     -5.0000001E-02  0.7677000    
 H    5.324800       1.671100      0.3660000    
 H    4.132800       1.206400       1.624100    
 H    2.584400       2.646400      0.3234000    
 H    3.794600       2.873400     -0.9554000    
 H    2.208800       2.219900      -1.414200    
 H   0.8669000       1.379600      5.2400000E-02
 H    3.821000      -1.790700      0.1657000    
 H    2.075500      -3.347900      0.9161000    
 H  -0.2490000      -2.560700       1.234300    
 H   -4.895900       1.077000      -1.061500    
 H   -3.687500      0.3496000      -2.122600    
 H   -4.758800      0.5443000       1.316600    
 H   -3.153900      0.3038000       2.004300    
 H   -4.282800      -1.931600      -1.301200    
 H   -5.512200      -1.234300     -0.2388000    
 H   -5.686100      -1.100700      -1.997700    
 H   -2.426900       2.548600       1.172600    
 H   -4.035600       2.819300      0.4906000    
 H   -3.833700       2.670300       2.245500    


%chk=000022389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022389

1 1
O -1.210140 -0.231783 0.790150
O -1.251995 1.117752 -1.181895
N 3.515529 0.530812 -0.788034
N -3.220801 0.490887 -0.065702
C 2.481524 -0.073480 0.171233
C 4.325887 -0.596633 -1.443554
C 4.454811 1.459877 -0.006053
C 2.874879 1.352676 -1.908999
C 1.115281 0.179146 -0.039858
C 2.948628 -0.866307 1.241289
C 0.180417 -0.393516 0.863323
C 1.995864 -1.422184 2.125303
C 0.618880 -1.193206 1.944969
C -4.079841 1.233636 -1.032212
C -3.890719 -0.230045 1.051795
C -1.875324 0.528014 -0.257203
C -4.583387 0.338366 -2.181319
C -4.031026 0.636877 2.318998
H 3.632348 -1.248653 -1.994522
H 5.063411 -0.151003 -2.129018
H 4.839614 -1.179411 -0.667435
H 4.975287 0.885008 0.771638
H 5.186254 1.895880 -0.704461
H 3.850712 2.250581 0.462280
H 2.315041 2.194530 -1.477745
H 3.683137 1.734195 -2.551337
H 2.202448 0.713317 -2.498206
H 0.718419 0.785401 -0.853528
H 4.011210 -1.065414 1.411195
H 2.336176 -2.039858 2.961381
H -0.122249 -1.620919 2.625190
H -4.927860 1.651831 -0.460428
H -3.491645 2.074818 -1.434387
H -4.886579 -0.532685 0.681197
H -3.326755 -1.148992 1.274907
H -3.738260 -0.040011 -2.781296
H -5.159948 -0.524850 -1.803209
H -5.244617 0.920196 -2.847743
H -3.039806 0.909898 2.719871
H -4.592467 1.565641 2.113460
H -4.577036 0.077113 3.099263


