%chk=000122686.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122686

0 1
 O   -2.256500       1.259000     -0.5870000    
 O  -0.5339000       2.640000     -6.8200000E-02
 O   -5.602900      -1.751000     -0.2380000    
 O    6.117300      0.5484000      0.6111000    
 N  -0.2078000      0.3249000     -0.4319000    
 N   -4.398500     -5.4800000E-02  0.8081000    
 C   -2.460300     -0.1597000     -0.6482000    
 C   -1.077400     -0.7276000     -0.8850000    
 C   -3.083300     -0.6238000      0.6613000    
 C  -0.9290000       1.511000     -0.3228000    
 C    1.192000      0.1418000     -0.2437000    
 C    1.762000      -1.126200     -0.3922000    
 C    2.005900       1.228700      8.9800000E-02
 C    3.133100      -1.305800     -0.2089000    
 C    3.377000       1.049000      0.2731000    
 C    3.940600     -0.2183000      0.1236000    
 C   -5.551100     -0.6704000      0.3435000    
 C    5.370200     -0.4050000      0.3138000    
 C   -6.790600      0.1267000      0.6502000    
 C    5.993200      -1.787300      0.1512000    
 H   -3.121200     -0.3867000      -1.492400    
 H  -0.9273000      -1.667400     -0.3461000    
 H  -0.8958000     -0.8793000      -1.955100    
 H   -2.498600     -0.2876000       1.524300    
 H   -3.159600      -1.715800      0.6895000    
 H   -4.473600      0.8445000       1.274900    
 H    1.175400      -1.999700     -0.6586000    
 H    1.634300       2.236100      0.2220000    
 H    3.531200      -2.307600     -0.3366000    
 H    3.986300       1.911100      0.5320000    
 H   -7.636800     -0.2774000      8.7899998E-02
 H   -7.007100      6.6399999E-02   1.720200    
 H   -6.649200       1.173200      0.3650000    
 H    5.847800      -2.149900     -0.8696000    
 H    5.570300      -2.481200      0.8823000    
 H    7.070200      -1.718100      0.3349000    


%chk=000122686-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122686

0 1
O -2.217701 1.278064 -0.305121
O -0.410271 2.687117 0.109779
O -5.860886 -1.911115 0.175002
O 6.326922 0.627691 0.392745
N -0.130779 0.331860 -0.251283
N -4.623170 -0.002693 0.654678
C -2.443712 -0.187021 -0.513826
C -1.022741 -0.814319 -0.524817
C -3.339648 -0.701961 0.621230
C -0.838455 1.543427 -0.121284
C 1.279439 0.173671 -0.149868
C 1.843162 -1.122706 -0.320621
C 2.143486 1.276716 0.116881
C 3.233968 -1.311083 -0.227319
C 3.527356 1.068444 0.207377
C 4.102513 -0.221556 0.038635
C -5.822661 -0.665707 0.416387
C 5.590650 -0.374290 0.147735
C -7.075295 0.199976 0.472196
C 6.206027 -1.758819 -0.041736
H -2.959040 -0.285151 -1.483041
H -0.920308 -1.587147 0.260863
H -0.785868 -1.274087 -1.500930
H -2.805233 -0.587634 1.585308
H -3.567171 -1.773312 0.464852
H -4.610960 1.007992 0.802004
H 1.206603 -1.987364 -0.528365
H 1.721477 2.274642 0.247406
H 3.637819 -2.319627 -0.364051
H 4.201380 1.906874 0.412225
H -7.627964 0.095107 -0.476863
H -7.734837 -0.172485 1.275105
H -6.865034 1.268467 0.649997
H 5.967511 -2.168019 -1.041221
H 5.821145 -2.472485 0.710702
H 7.298579 -1.681269 0.063637


