%chk=000177139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177139

0 1
 O    5.321200      0.6956000      -1.584300    
 O    2.209100     -0.4730000       1.024900    
 O    4.135800      -1.701600     -0.5148000    
 O   -4.615100      -2.143300     -0.1004000    
 O   -3.322500       2.304300     -0.5333000    
 N   -2.309000      -1.695000      0.2985000    
 C    5.729100      0.1274000     -0.3363000    
 C    4.511900     -0.5843000      0.3004000    
 C    3.271500      0.2973000      0.4645000    
 C    6.229800       1.270600      0.5564000    
 C    6.877600     -0.8489000     -0.6113000    
 C   0.9393000     -9.9200003E-02  0.7088000    
 C   -1.671300      0.6386000      6.3000001E-02
 C   -1.387500     -0.7209000      0.3334000    
 C  -7.6099999E-02  -1.057500      0.6524000    
 C   -2.986100       1.006400     -0.2622000    
 C   -3.961100      3.0000000E-03 -0.3034000    
 C   0.6522000       1.232600      0.4427000    
 C  -0.6502000       1.601500      0.1203000    
 C   -3.551400      -1.292800     -1.6899999E-02
 C   -5.349800     -7.0600003E-02 -0.5748000    
 C   -5.696900      -1.394200     -0.4375000    
 C   -4.300400       2.904100      0.3097000    
 H    4.794100      -1.000400       1.275500    
 H    2.986800      0.6721000     -0.5270000    
 H    3.481100       1.138300       1.132900    
 H    6.492500      0.9142000       1.557600    
 H    5.484100       2.067000      0.6478000    
 H    7.115600       1.743600      0.1161000    
 H    7.727300     -0.3293000      -1.069200    
 H    7.222200      -1.331600      0.3089000    
 H    6.581400      -1.626800      -1.323500    
 H    4.986500     -2.6400000E-02  -2.143400    
 H    3.385800      -2.141400     -7.8800000E-02
 H   0.1735000      -2.096500      0.8650000    
 H  -0.8532000       2.651400     -7.8699999E-02
 H    1.401300       2.016100      0.5006000    
 H   -6.022700      0.7296000     -0.8459000    
 H   -6.624900      -1.936900     -0.5436000    
 H   -4.046300       3.962500      0.4206000    
 H   -4.322000       2.453400       1.308200    
 H   -5.286500       2.841800     -0.1575000    


%chk=000177139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177139

0 1
O 5.859857 0.697462 -1.545999
O 2.274743 -0.739583 0.109925
O 4.530842 -1.618940 -1.054557
O -4.758397 -2.152634 0.110228
O -3.302092 2.465065 0.099201
N -2.409433 -1.743354 0.111737
C 5.970380 0.109740 -0.191994
C 4.659196 -0.686626 0.080694
C 3.412089 0.206082 0.141725
C 6.148758 1.298761 0.765583
C 7.179914 -0.849237 -0.130978
C 0.966024 -0.226241 0.110838
C -1.736015 0.665062 0.107045
C -1.425387 -0.757532 0.110262
C -0.063676 -1.172879 0.113145
C -3.115833 1.086944 0.103240
C -4.120586 0.096492 0.104161
C 0.672758 1.176466 0.109314
C -0.656493 1.601427 0.107145
C -3.645106 -1.274300 0.108856
C -5.578440 0.013822 0.102429
C -5.902874 -1.322880 0.106178
C -4.662972 3.017182 0.086657
H 4.752187 -1.258121 1.027465
H 3.380328 0.874749 -0.740145
H 3.379906 0.797556 1.075830
H 6.115128 0.971725 1.820871
H 5.372757 2.065075 0.597899
H 7.127794 1.772476 0.579877
H 8.081926 -0.318649 -0.481014
H 7.358793 -1.203856 0.901414
H 7.009559 -1.729113 -0.774612
H 5.571747 -0.049452 -2.139005
H 3.595357 -1.952516 -1.054580
H 0.157234 -2.242714 0.119399
H -0.891371 2.669187 0.104156
H 1.476877 1.917279 0.106713
H -6.305942 0.820273 0.098874
H -6.852109 -1.851706 0.106716
H -4.524521 4.107890 0.079811
H -5.218799 2.716714 0.993119
H -5.207406 2.703706 -0.822223


