%chk=000004226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004226

0 1
 O    3.218300      -1.495300     -0.1148000    
 O   -4.416900      -2.031000      0.4467000    
 O   -4.070600       3.239600      0.8183000    
 O   -4.233400       2.377400      -1.279300    
 N   -3.041600      -2.262400      0.4888000    
 C    1.294300     -0.3118000     -8.3999997E-03
 C    2.387300      0.6022000      4.0100001E-02
 C    1.858900      -1.580000     -0.1029000    
 C  -0.8765000      -1.374600     -5.3100001E-02
 C  -0.1085000     -0.2045000      1.7500000E-02
 C    3.539700     -0.1745000     -2.8500000E-02
 C   -2.328100      -1.278900     -2.8000001E-02
 C    1.121600      -2.760800     -0.1743000    
 C  -0.2697000      -2.629100     -0.1470000    
 C   -3.024400     -2.5000000E-02 -0.6058000    
 C    2.526900       1.999200      0.1344000    
 C    4.833600      0.3432000     -1.0100000E-02
 C   -3.272100       1.022400      0.4736000    
 C    3.815800       2.548800      0.1553000    
 C    4.947300       1.733300      8.3999999E-02
 C   -3.902000       2.261900     -0.1067000    
 H  -0.5423000      0.7841000      8.0600001E-02
 H    1.599600      -3.730300     -0.2490000    
 H  -0.8679000      -3.535800     -0.2099000    
 H   -2.395200      0.3914000      -1.402600    
 H   -3.958600     -0.3117000      -1.102400    
 H    1.657200       2.647000      0.1905000    
 H    5.706900     -0.2959000     -6.5600000E-02
 H   -3.958900      0.6191000       1.226400    
 H   -2.353000       1.312300      0.9875000    
 H    3.935300       3.626800      0.2280000    
 H    5.935100       2.187100      0.1021000    
 H   -4.763800      -2.839300      0.8603000    
 H   -4.484300       4.041100      0.4326000    


%chk=000004226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004226

0 1
O 3.283602 -1.537602 0.365700
O -4.499552 -2.076753 -0.253856
O -4.584875 2.863194 1.377700
O -3.609704 2.961177 -0.726338
N -3.060102 -2.321109 -0.102498
C 1.334243 -0.308018 -0.074364
C 2.469380 0.612099 -0.118710
C 1.875873 -1.591009 0.220428
C -0.890201 -1.320207 -0.136669
C -0.059121 -0.174158 -0.254232
C 3.627977 -0.173809 0.152976
C -2.366749 -1.209086 -0.307193
C 1.089068 -2.745509 0.345357
C -0.297643 -2.592249 0.165201
C -3.022747 0.115035 -0.656084
C 2.626676 1.996888 -0.358499
C 4.928053 0.343212 0.199018
C -3.427289 0.890777 0.623107
C 3.927890 2.545146 -0.318348
C 5.061694 1.731087 -0.043536
C -3.859531 2.310381 0.312583
H -0.483796 0.807646 -0.483257
H 1.535381 -3.717277 0.571631
H -0.957520 -3.459313 0.254134
H -2.358962 0.739778 -1.274501
H -3.931499 -0.082273 -1.249322
H 1.762147 2.633976 -0.573112
H 5.789899 -0.295178 0.410747
H -4.239629 0.372150 1.159701
H -2.576436 0.955897 1.330586
H 4.069547 3.615347 -0.502357
H 6.058098 2.185079 -0.019306
H -4.876397 -2.982783 -0.114158
H -4.827776 3.803463 1.155768


