%chk=000050910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050910

0 1
 O   -1.704000       2.283800     -2.1500001E-02
 O   -2.169200      -2.313100     -0.6706000    
 O    4.386900      -1.511200       1.449000    
 N   -1.520600     -5.9099998E-02 -0.3346000    
 N    4.957900     -7.7600002E-02 -0.3070000    
 C   -3.628300      0.9660000     -0.5387000    
 C   -3.774800     -0.5461000     -0.8036000    
 C   -4.547000       1.198700      0.6819000    
 C   -4.769300     -0.9930000      0.2935000    
 C   -4.369700     -0.1010000       1.476600    
 C   -5.967200      0.9696000      0.2118000    
 C   -6.100000     -0.3459000     -2.3000000E-02
 C   -2.164700       1.172800     -0.2503000    
 C   -2.389500      -1.109500     -0.6219000    
 C  -0.1140000     -0.2372000     -0.1174000    
 C   0.5723000      -1.255500     -0.7811000    
 C   0.5715000      0.6078000      0.7569000    
 C    1.940300      -1.428500     -0.5708000    
 C    1.939600      0.4349000      0.9671000    
 C    2.623900     -0.5833000      0.3031000    
 C    4.050600     -0.7627000      0.5217000    
 C    6.399800     -0.1935000     -0.1403000    
 C    4.514300      0.7965000      -1.390900    
 C    6.928500      0.8625000      0.8154000    
 C    4.332700       2.224400     -0.9052000    
 H   -3.913700       1.565100      -1.411000    
 H   -4.127300     -0.7597000      -1.818700    
 H   -4.383600       2.110400       1.257800    
 H   -4.808000      -2.058700      0.5217000    
 H   -3.348300     -0.2669000       1.833400    
 H   -5.051000     -0.1839000       2.334000    
 H   -6.712700       1.729800      4.2199999E-02
 H   -6.972400     -0.8425000     -0.4163000    
 H   8.2599998E-02  -1.910100      -1.495300    
 H   6.8899997E-02   1.385800       1.322600    
 H    2.465700      -2.219900      -1.099300    
 H    2.457600       1.087800       1.664800    
 H    6.616100      -1.181800      0.2814000    
 H    6.902100     -0.1382000      -1.111500    
 H    5.236300      0.7608000      -2.214300    
 H    3.568000      0.4370000      -1.803400    
 H    6.366700      0.8694000       1.755200    
 H    6.881600       1.864500      0.3846000    
 H    7.978900      0.6604000       1.049300    
 H    5.295500       2.720800     -0.7620000    
 H    3.783700       2.289000      3.5999998E-02
 H    3.788500       2.805000      -1.657600    


%chk=000050910-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050910

0 1
O -1.816738 2.024953 -1.027382
O -2.208580 -2.574082 -0.052107
O 4.544418 -1.903166 0.336467
N -1.649693 -0.300017 -0.515593
N 4.977695 0.253675 -0.414557
C -3.854788 0.626704 -0.788243
C -3.983840 -0.890190 -0.470929
C -4.609702 1.317539 0.430601
C -4.796271 -0.910218 0.896700
C -4.210298 0.357623 1.596102
C -6.086074 0.933473 0.254622
C -6.197811 -0.398291 0.534047
C -2.355896 0.916238 -0.804506
C -2.552969 -1.400451 -0.318723
C -0.213931 -0.399974 -0.420373
C 0.449897 -1.570752 -0.866861
C 0.533605 0.669262 0.132093
C 1.850404 -1.659963 -0.763028
C 1.936961 0.575532 0.206234
C 2.615660 -0.582354 -0.251107
C 4.104077 -0.785255 -0.097177
C 6.420930 0.013373 -0.139907
C 4.636534 1.438547 -1.237169
C 6.788545 0.198418 1.346723
C 4.864539 2.783249 -0.514982
H -4.291503 0.939932 -1.749744
H -4.498628 -1.483540 -1.243250
H -4.379349 2.386682 0.537941
H -4.733003 -1.869676 1.428327
H -3.123791 0.304947 1.789886
H -4.737691 0.597452 2.532843
H -6.864099 1.606552 -0.114230
H -7.085319 -1.028914 0.439245
H -0.124697 -2.408555 -1.266292
H 0.026492 1.568124 0.488140
H 2.368926 -2.574522 -1.066974
H 2.500985 1.399844 0.654671
H 6.660689 -1.021627 -0.445426
H 7.000817 0.708409 -0.774110
H 5.258996 1.409670 -2.155942
H 3.587829 1.354656 -1.562551
H 6.221834 -0.516115 1.966547
H 6.567885 1.223766 1.693059
H 7.866641 0.004399 1.497972
H 5.919097 2.903327 -0.209048
H 4.237190 2.863671 0.390453
H 4.609225 3.621546 -1.188762


