%chk=000052641.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052641

0 1
 O   -1.212800      0.2443000       2.535000    
 O   -1.748400      0.3560000      -2.065800    
 O   -3.486900       2.365800     -4.1400000E-02
 O   -2.172600       4.066600     -0.7413000    
 O    4.764900     -0.3433000      0.9747000    
 O    2.221000      -2.015500      -1.741500    
 O    4.059600      -2.155300     -0.5503000    
 N   -1.394700      0.7211000      0.2357000    
 N    3.029300      -1.538300     -0.9103000    
 C   -1.088400       2.137700      0.2356000    
 C   0.1299000       2.440000     -0.6465000    
 C   -1.424000     -5.5900000E-02   1.374700    
 C   -1.688900      1.5000000E-03 -0.9032000    
 C   -1.780500      -1.401300      0.9259000    
 C   -1.940700      -1.366700     -0.4515000    
 C    1.368200       1.690000     -0.2181000    
 C   -2.283000       2.957600     -0.2292000    
 C    1.624700      0.4381000     -0.7544000    
 C   -1.950900      -2.562200       1.651800    
 C   -2.279500      -2.491200      -1.175600    
 C    2.225700       2.267800      0.7044000    
 C    2.769000     -0.2541000     -0.3579000    
 C   -2.295100      -3.714300      0.9391000    
 C   -2.457600      -3.679200     -0.4609000    
 C    3.370000       1.575800       1.100800    
 C    3.641700      0.3148000      0.5699000    
 H  -0.8833000       2.448600       1.267700    
 H   0.3481000       3.516800     -0.6194000    
 H  -7.5400002E-02   2.233200      -1.704700    
 H   0.9503000      2.5200000E-02  -1.497300    
 H   -1.825300      -2.589600       2.727700    
 H   -2.403800      -2.464600      -2.251700    
 H    2.021200       3.248000       1.125600    
 H   -2.439400      -4.651900       1.469600    
 H   -2.725000      -4.590300     -0.9899000    
 H    4.040100       2.030900       1.825400    
 H   -4.225400       2.927900     -0.3590000    
 H    5.241900      0.2075000       1.618900    


%chk=000052641-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052641

0 1
O -1.090427 0.385009 2.492871
O -1.903825 0.426666 -2.140697
O -3.500470 2.392330 -0.020255
O -2.196450 4.176080 -0.738011
O 4.786493 -0.416818 1.130625
O 2.158934 -2.076721 -1.640781
O 4.349797 -1.977867 -1.016244
N -1.400299 0.729098 0.161830
N 3.155725 -1.498543 -1.042954
C -1.084182 2.155065 0.144013
C 0.158865 2.497061 -0.737521
C -1.390175 -0.056770 1.356755
C -1.796769 -0.032945 -0.976319
C -1.790828 -1.432101 0.931246
C -2.030547 -1.419010 -0.465683
C 1.399092 1.758992 -0.270882
C -2.283895 3.020531 -0.274473
C 1.749145 0.514771 -0.830966
C -1.928833 -2.605457 1.686873
C -2.411755 -2.579978 -1.153206
C 2.219569 2.273977 0.768100
C 2.881224 -0.203929 -0.382338
C -2.317402 -3.785361 1.000429
C -2.553797 -3.772849 -0.397548
C 3.342963 1.565592 1.226730
C 3.698709 0.311662 0.663653
H -0.863200 2.412992 1.201847
H 0.296532 3.591000 -0.687269
H -0.082319 2.243341 -1.783769
H 1.157017 0.074445 -1.638929
H -1.739420 -2.604415 2.764668
H -2.585182 -2.561229 -2.233408
H 1.975893 3.241492 1.222374
H -2.432548 -4.722125 1.555824
H -2.845467 -4.700654 -0.900775
H 3.957669 1.981157 2.035444
H -4.246889 2.990396 -0.296281
H 5.211051 0.046613 1.897626


