%chk=000122575.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122575

0 1
 O   -5.190600       1.184500      8.6900003E-02
 O    2.286000      -2.113000      0.1091000    
 O   -2.341800      -2.052900     -0.1729000    
 N    1.174400     -7.2400004E-02  0.1200000    
 N   -2.451700      0.6023000     -7.1999997E-02
 N  -2.2900000E-02  -2.120500     -2.8800000E-02
 C    2.412000      0.6629000      0.2208000    
 C    3.453500     -0.1348000       1.009900    
 C    2.931000       1.032800      -1.170800    
 C    4.788700      0.6014000       1.082400    
 C    4.267700       1.766300      -1.096200    
 C    5.303100      0.9712000     -0.3059000    
 C  -2.7700000E-02  0.6414000      7.5999998E-02
 C   -1.220200      1.8100001E-02 -2.0400001E-02
 C    1.226900      -1.476800      7.0200004E-02
 C   -1.257300      -1.475400     -8.1299998E-02
 C   -2.960800       1.454200       1.003000    
 C   -3.278800      0.5822000      -1.278500    
 C   6.7400001E-02   2.152400      0.1415000    
 C   -4.415100       1.095300       1.284700    
 C   -4.718900      0.2608000     -0.8971000    
 C  -2.4900001E-02  -3.580100     -8.0499999E-02
 H    2.269200       1.577200      0.8069000    
 H    3.810100      -1.042400      0.5300000    
 H    3.099000     -0.3765000       2.018400    
 H    2.218200       1.642000      -1.734000    
 H    3.066100      0.1187000      -1.765200    
 H    5.532000     -1.8600000E-02   1.597600    
 H    4.668800       1.512700       1.681400    
 H    4.120000       2.745700     -0.6248000    
 H    4.643000       1.952400      -2.108800    
 H    6.224200       1.557500     -0.2128000    
 H    5.561000      5.8400001E-02 -0.8569000    
 H   -2.908200       2.502600      0.6877000    
 H   -2.372300       1.342500       1.920900    
 H   -2.916000     -0.1440000      -2.015000    
 H   -3.231100       1.573800      -1.744900    
 H   0.3052000       2.478600       1.159600    
 H  -0.8677000       2.642400     -0.1413000    
 H   0.7948000       2.573500     -0.5533000    
 H   -4.504700      8.4100001E-02   1.699400    
 H   -4.839800       1.793500       2.012800    
 H   -5.366300      0.3479000      -1.775300    
 H   -4.817500     -0.7606000     -0.5110000    
 H   0.5484000      -3.898200     -0.9573000    
 H   -1.031100      -4.001800     -0.1357000    
 H   0.4783000      -3.963100      0.8133000    


%chk=000122575-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122575

0 1
O -5.206536 0.926670 0.807668
O 2.230656 -2.105541 -0.421437
O -2.440273 -2.066363 -0.394218
N 1.146292 -0.020707 -0.209157
N -2.501102 0.812939 -0.209355
N -0.098404 -2.048595 -0.482499
C 2.473975 0.663024 0.006556
C 3.216640 0.147641 1.267110
C 3.370451 0.610800 -1.255979
C 4.509316 0.973900 1.484344
C 4.669868 1.420759 -1.023084
C 5.422838 0.928461 0.236301
C -0.054901 0.720608 -0.274843
C -1.296885 0.076854 -0.281049
C 1.162421 -1.424091 -0.374113
C -1.361548 -1.392515 -0.375002
C -2.836937 1.637109 0.971796
C -3.655358 0.539701 -1.096567
C 0.019708 2.227561 -0.367111
C -4.056908 1.051432 1.717662
C -4.868058 0.010175 -0.305035
C -0.076717 -3.520340 -0.645900
H 2.232902 1.722761 0.200499
H 3.469791 -0.917507 1.134958
H 2.552654 0.230925 2.149790
H 2.815084 1.016145 -2.124703
H 3.615330 -0.442382 -1.477752
H 5.048523 0.585552 2.369255
H 4.247858 2.030058 1.707667
H 4.424031 2.497153 -0.901939
H 5.319636 1.341463 -1.915350
H 6.327661 1.543925 0.403807
H 5.764621 -0.113578 0.073484
H -3.085324 2.674105 0.656421
H -1.965875 1.680626 1.649565
H -3.364753 -0.194944 -1.864147
H -3.940745 1.486668 -1.604773
H 0.238309 2.720317 0.599930
H -0.961854 2.589199 -0.711966
H 0.787847 2.549505 -1.092154
H -3.798795 0.056493 2.141533
H -4.391072 1.725389 2.525759
H -5.772808 -0.023182 -0.935113
H -4.634240 -0.997488 0.089236
H 0.449151 -3.785901 -1.577623
H -1.122065 -3.858976 -0.676952
H 0.459195 -3.987608 0.196280


