%chk=000027349.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027349

0 1
 O   0.5531000      -2.615500       1.018900    
 O   -3.753300       2.381100      0.1453000    
 N    4.581700      0.9404000      0.6949000    
 N    1.615400     -0.6836000     -0.6079000    
 N   -4.151300      8.4200002E-02  0.1365000    
 C    3.762100      0.1369000      -1.500900    
 C    4.597200     -0.1666000     -0.2536000    
 C    2.289500      0.4281000      -1.218800    
 C   0.2738000     -0.6849000     -0.3271000    
 C    5.140500       2.149000      8.6199999E-02
 C    5.326000      0.5919000       1.906500    
 C  -0.5178000      0.3632000     -0.6052000    
 C  -0.2076000      -1.940200      0.3259000    
 C   -1.907200      0.5796000     -0.2904000    
 C   -2.868700     -0.3369000     -0.1086000    
 C   -1.562500      -2.463600      3.3500001E-02
 C   -2.683600      -1.767300     -0.1773000    
 C   -4.508100       1.415300      0.2343000    
 C   -5.979200       1.588800      0.5079000    
 H    4.196600      0.9559000      -2.084800    
 H    3.820000     -0.7437000      -2.155400    
 H    5.623700     -0.4020000     -0.5657000    
 H    4.206600      -1.071800      0.2267000    
 H    2.204900       1.322000     -0.5897000    
 H    1.820800      0.6601000      -2.183800    
 H    2.132600      -1.531200     -0.3993000    
 H    4.486100       2.559100     -0.6887000    
 H    6.136600       1.980100     -0.3390000    
 H    5.228800       2.945300      0.8352000    
 H    6.382300      0.3861000       1.698400    
 H    4.889600     -0.2917000       2.385500    
 H    5.269900       1.403700       2.640300    
 H  -8.6199999E-02   1.241900      -1.083300    
 H   -2.012700       1.648900     -0.2703000    
 H   -1.629900      -3.549800      3.3100002E-02
 H   -3.585300      -2.349100     -0.3679000    
 H   -4.869200     -0.6261000      0.2570000    
 H   -6.262000       2.633300      0.3502000    
 H   -6.192400       1.309900       1.543400    
 H   -6.569000      0.9623000     -0.1676000    


%chk=000027349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027349

0 1
O 0.815630 -3.063305 -0.468913
O -4.016509 2.502143 -0.025239
N 4.527886 1.045714 0.632901
N 1.659293 -0.728880 -1.101311
N -4.093204 0.182036 0.373350
C 3.942587 0.068719 -1.615643
C 4.588677 -0.159412 -0.228219
C 2.448349 0.433379 -1.520113
C 0.343601 -0.741224 -0.730837
C 5.476406 2.101622 0.224760
C 4.652019 0.723805 2.070250
C -0.437781 0.439262 -0.717405
C -0.086514 -2.132876 -0.371011
C -1.787337 0.665790 -0.370488
C -2.761560 -0.259052 0.069029
C -1.425265 -2.450809 0.064938
C -2.560139 -1.662609 0.254255
C -4.651328 1.460417 0.324601
C -6.123175 1.523731 0.731438
H 4.467800 0.881113 -2.151124
H 4.073913 -0.844452 -2.230589
H 5.641231 -0.516120 -0.369911
H 4.045684 -0.970850 0.292430
H 2.344141 1.248570 -0.776061
H 2.080114 0.810205 -2.497941
H 2.072864 -1.678693 -1.079794
H 5.294674 2.404128 -0.821030
H 6.547402 1.784483 0.310737
H 5.331361 2.993518 0.859911
H 5.646448 0.288954 2.345048
H 3.869318 0.000571 2.358934
H 4.506769 1.640939 2.669249
H 0.094196 1.346710 -1.030605
H -2.134682 1.701018 -0.450728
H -1.535810 -3.521612 0.281675
H -3.443225 -2.221906 0.604148
H -4.728106 -0.560576 0.674194
H -6.710265 1.929275 -0.110681
H -6.230961 2.229091 1.573339
H -6.552703 0.550285 1.026853


