%chk=000052270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052270

0 1
 O    3.598200       2.089300     -0.6009000    
 O   -5.061900      7.5400002E-02 -0.6311000    
 O   -5.023400      0.5283000       1.625500    
 N    1.047100      -1.060700      0.2451000    
 C    3.303400     -0.2453000     -0.1369000    
 C   -3.028900     -0.1311000      0.4978000    
 C  -0.3138000     -0.7499000      0.3294000    
 C    4.116100      0.8411000     -0.4229000    
 C   -2.227300     -6.9600001E-02   1.637800    
 C   -2.472700     -0.5023000     -0.7265000    
 C  -0.8698000     -0.3788000       1.553600    
 C   -1.115300     -0.8118000     -0.8106000    
 C    3.836300      -1.513200      4.2199999E-02
 C    1.845700     -7.1999997E-02 -1.8400000E-02
 C    5.494200      0.6556000     -0.5329000    
 C    5.214400      -1.698700     -6.7800000E-02
 C   -4.444400      0.1906000      0.5844000    
 C    6.043300     -0.6143000     -0.3555000    
 C   -6.462600      0.3685000     -0.6757000    
 C   -6.959600      0.1858000      -2.093800    
 C    3.481100       2.912900      0.5572000    
 H   -2.640700      0.2170000       2.601300    
 H   -3.057600     -0.5644000      -1.639800    
 H  -0.2536000     -0.3284000       2.447500    
 H  -0.6909000      -1.100800      -1.768600    
 H    3.216200      -2.376200      0.2666000    
 H    1.439900      0.9448000     -0.1714000    
 H    6.146300       1.495400     -0.7577000    
 H    5.642500      -2.687300      7.0200004E-02
 H    7.116200     -0.7588000     -0.4414000    
 H   -6.997800     -0.3113000     -3.7000000E-03
 H   -6.628000       1.402700     -0.3542000    
 H   -8.029200      0.4021000      -2.164400    
 H   -6.418900      0.8464000      -2.779600    
 H   -6.782700     -0.8395000      -2.434900    
 H    2.979100       3.840400      0.2685000    
 H    4.473200       3.159700      0.9484000    
 H    2.886100       2.420200       1.332600    


%chk=000052270-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052270

0 1
O 3.475430 2.114510 -0.471306
O -5.244797 0.083079 -0.673101
O -5.490116 -1.083071 1.331895
N 0.988194 -0.953525 0.631481
C 3.254925 -0.163271 0.259060
C -3.255718 -0.652703 0.447746
C -0.415958 -0.811497 0.547015
C 4.115167 0.918032 -0.118381
C -2.609488 -1.319400 1.524741
C -2.471608 -0.082821 -0.590054
C -1.210001 -1.410646 1.567289
C -1.068928 -0.159172 -0.543149
C 3.845318 -1.402947 0.624615
C 1.797120 0.015823 0.266311
C 5.521089 0.749466 -0.123792
C 5.241915 -1.575820 0.620524
C -4.740900 -0.594583 0.446476
C 6.076377 -0.495372 0.245537
C -6.731100 0.189914 -0.747788
C -7.053928 0.955555 -2.027168
C 4.309849 3.259106 -0.849015
H -3.229190 -1.763740 2.310423
H -2.975479 0.410752 -1.425819
H -0.699721 -1.932278 2.382671
H -0.468752 0.255071 -1.361175
H 3.167339 -2.213486 0.910825
H 1.427125 1.015824 -0.025749
H 6.183411 1.571074 -0.410625
H 5.680633 -2.537155 0.906019
H 7.165195 -0.618674 0.239496
H -7.155234 -0.830701 -0.745704
H -7.089745 0.709640 0.159382
H -8.148872 1.066448 -2.130634
H -6.603090 1.962625 -2.007973
H -6.674002 0.419864 -2.914019
H 3.599440 4.069336 -1.068084
H 4.912232 3.036096 -1.750430
H 4.976070 3.560446 -0.018138


