%chk=000023253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023253

0 1
 O    2.244700     -0.4913000      5.2200001E-02
 O    4.366400      0.7557000       1.327200    
 N   0.9627000     -0.4561000     -0.5109000    
 C   -1.306900      -1.486600     -0.2788000    
 C   -1.785500     -0.9839000      -1.681800    
 C   -2.177100     -0.4095000      0.2973000    
 C   -2.597500      3.1500001E-02 -0.9342000    
 C   0.1708000      -1.284700      9.7599998E-02
 C   -2.608200      0.1704000       1.467100    
 C   -3.475600       1.080400      -1.073800    
 C   0.7343000      -2.096800       1.235000    
 C   -3.501700       1.239100       1.359100    
 C   -3.932600       1.691300      9.6600004E-02
 C    3.062000      0.4313000     -0.6515000    
 C    4.462600      0.4078000     -5.3199999E-02
 C    5.381500       1.401400     -0.7479000    
 H   -1.644300      -2.511700     -7.5700000E-02
 H   -2.352800      -1.730300      -2.250100    
 H   -1.003200     -0.5886000      -2.338700    
 H   -2.271000     -0.1839000       2.433700    
 H   -3.801500       1.421600      -2.048900    
 H  -4.7499999E-02  -2.730400       1.663700    
 H    1.537400      -2.747200      0.8767000    
 H    1.103100      -1.440000       2.028500    
 H   -3.869200       1.728300       2.257200    
 H   -4.627800       2.524200      3.4800000E-02
 H    2.623200       1.431600     -0.5489000    
 H    3.095200      0.1600000      -1.713100    
 H    4.885500     -0.6015000     -0.1058000    
 H    6.373700       1.389900     -0.2842000    
 H    5.490000       1.166700      -1.811100    
 H    5.001400       2.424200     -0.6493000    
 H    3.765300      0.1170000       1.747600    


%chk=000023253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023253

0 1
O 2.428895 -0.496952 0.022762
O 4.320215 1.348194 0.997043
N 1.114211 -0.548595 -0.651775
C -1.182235 -1.254396 -0.452348
C -1.563911 -0.386298 -1.735753
C -2.288595 -0.464549 0.295415
C -2.639971 0.274085 -0.860666
C 0.224498 -1.152763 0.104609
C -2.937261 -0.299248 1.527377
C -3.676924 1.218710 -0.851982
C 0.488749 -1.735496 1.476065
C -3.986526 0.663334 1.549854
C -4.347309 1.399637 0.391152
C 3.405379 0.097992 -0.919145
C 4.653053 0.394978 -0.077043
C 5.769818 1.035694 -0.905265
H -1.438235 -2.326683 -0.571917
H -1.927097 -0.974313 -2.596384
H -0.743747 0.272270 -2.063521
H -2.674191 -0.864421 2.428391
H -3.965533 1.796706 -1.736607
H -0.251820 -2.517040 1.715738
H 1.507187 -2.153960 1.535722
H 0.412948 -0.946346 2.249062
H -4.534239 0.841488 2.482641
H -5.163970 2.127820 0.461343
H 2.980248 1.027768 -1.339758
H 3.622172 -0.619266 -1.734236
H 5.010458 -0.558918 0.369914
H 6.625308 1.270235 -0.249898
H 6.114644 0.354591 -1.704379
H 5.419691 1.978513 -1.361282
H 3.481492 1.027128 1.421270


