%chk=000002136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002136

0 1
 O   -1.725300      -1.975800      -1.452600    
 O    4.738100       2.084500     -0.6209000    
 O    2.925500       2.009900      0.7441000    
 N   0.7967000      0.2622000      -1.769500    
 C    2.277500     -0.6342000     -6.1799999E-02
 C    1.002600     -0.5340000     -0.6184000    
 C  -3.2499999E-02  -1.220300     -2.6300000E-02
 C    3.442400      8.7200001E-02 -0.6584000    
 C    2.483400      -1.418900       1.072900    
 C   0.1392000      -2.002900       1.094300    
 C   -1.411500      -1.136200     -0.5954000    
 C    1.414100      -2.103200       1.651000    
 C   -2.366500     -0.1219000     -0.1786000    
 C   -2.007400      0.8190000      0.7864000    
 C   -3.641500     -9.0200000E-02 -0.7432000    
 C    3.644300       1.476800     -9.0000004E-02
 C   -2.923200       1.791800       1.186800    
 C   -4.557500      0.8826000     -0.3428000    
 C   -4.198400       1.823600      0.6222000    
 H    3.375700      0.1454000      -1.749400    
 H    4.358000     -0.4822000     -0.4494000    
 H    3.470200      -1.505000       1.520100    
 H  -0.6892000      -2.538000       1.548700    
 H    1.574100      -2.713500       2.535000    
 H  -0.1269000      0.3324000      -2.175200    
 H    1.522600      0.8651000      -2.128300    
 H   -1.026200      0.8314000       1.251300    
 H   -3.946200     -0.8116000      -1.496600    
 H   -2.644100       2.525000       1.938000    
 H   -5.550400      0.9076000     -0.7822000    
 H   -4.911600       2.581000      0.9339000    
 H    4.869700       2.984800     -0.2541000    


%chk=000002136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002136

0 1
O -1.260678 0.357076 -2.088898
O 5.275938 1.307066 -0.016665
O 3.997523 1.723377 -1.905404
N 1.381056 0.375189 -2.080719
C 2.501084 -0.561190 -0.116220
C 1.303971 -0.156290 -0.813303
C 0.017816 -0.335023 -0.156952
C 3.861563 -0.490684 -0.812090
C 2.406507 -1.124015 1.167085
C -0.018606 -0.952283 1.128917
C -1.229372 0.095406 -0.826671
C 1.152359 -1.337536 1.796032
C -2.512349 0.272435 -0.055624
C -2.557739 0.848401 1.242827
C -3.731757 -0.046176 -0.711041
C 4.358270 0.934347 -0.996137
C -3.798018 1.081028 1.877239
C -4.968229 0.167091 -0.068521
C -5.005316 0.731034 1.229611
H 3.788507 -0.942258 -1.820448
H 4.605224 -1.051000 -0.225693
H 3.326593 -1.436069 1.676079
H -0.991350 -1.148113 1.589311
H 1.102626 -1.817032 2.778076
H 0.481193 0.534358 -2.558319
H 2.253656 0.788074 -2.422651
H -1.629059 1.148206 1.739528
H -3.687899 -0.450898 -1.727403
H -3.821974 1.540725 2.871515
H -5.901156 -0.096773 -0.578670
H -5.966280 0.905783 1.726455
H 5.541597 2.258146 -0.149642


