%chk=000005953.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005953

0 1
 O  -0.2792000       1.246100      -2.683600    
 O    3.551500      -2.758600     -0.3480000    
 N   -1.589100     -3.0099999E-02  0.5753000    
 N    2.712900       2.534700       1.009200    
 C   -3.609300     -0.8849000     -0.8225000    
 C   -1.592600      0.6150000     -0.7646000    
 C   -2.678500     -6.9999998E-04  -1.674400    
 C   -4.089900     -3.6899999E-02  0.3803000    
 C   -2.753800      -2.057300     -0.3100000    
 C   -2.863100      0.3106000       1.259200    
 C   -1.534500      -1.504400      0.4449000    
 C  -0.2131000      0.5817000      -1.425500    
 C   -5.166500     -0.7138000       1.173500    
 C   0.8381000       1.237300     -0.5655000    
 C   -6.397800     -0.2190000       1.338600    
 C    1.969900      0.5462000     -0.1317000    
 C   0.6364000       2.560800     -0.2222000    
 C    2.898300       1.245500      0.6679000    
 C    2.195500     -0.7990000     -0.4692000    
 C    1.599500       3.160500      0.5637000    
 C    4.030700      0.5636000       1.104700    
 C    3.336700      -1.456300     -1.8800000E-02
 C    4.255200     -0.7740000      0.7693000    
 C    4.742800      -3.366900      0.1494000    
 H   -4.449200      -1.250100      -1.424000    
 H   -1.878900       1.668100     -0.6334000    
 H   -2.243300     -0.6055000      -2.479600    
 H   -3.258300      0.7987000      -2.152100    
 H   -4.490600      0.9051000     -2.1900000E-02
 H   -2.414700      -2.667500      -1.156200    
 H   -3.337400      -2.717500      0.3402000    
 H   -2.872000       1.383800       1.491600    
 H   -2.897700     -0.1928000       2.234500    
 H   -1.486400      -1.956300       1.444000    
 H  -0.6120000      -1.823200     -4.8999999E-02
 H   9.1000004E-03 -0.4487000      -1.689600    
 H   -4.930300      -1.657900       1.657600    
 H   0.6275000       1.349700      -3.019600    
 H   -7.130100     -0.7557000       1.931900    
 H   -6.697800      0.7213000      0.8898000    
 H  -0.2192000       3.135800     -0.5558000    
 H    1.526700      -1.387100      -1.084800    
 H    1.504200       4.198600      0.8650000    
 H    4.764900       1.077000       1.723100    
 H    5.166000      -1.217300       1.157300    
 H    4.751400      -4.401500     -0.2089000    
 H    4.746900      -3.407100       1.244000    
 H    5.639400      -2.881800     -0.2511000    


%chk=000005953-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005953

0 1
O -0.545485 1.557736 -2.722428
O 3.436173 -2.792951 -0.131857
N -1.503072 -0.209355 0.446427
N 2.818937 2.703989 0.926098
C -3.649395 -0.877395 -0.859273
C -1.602622 0.598781 -0.812516
C -2.749248 0.046720 -1.726164
C -4.048414 -0.104196 0.446876
C -2.833503 -2.149046 -0.502482
C -2.708729 0.089084 1.276381
C -1.486947 -1.679508 0.155720
C -0.243299 0.708429 -1.544760
C -5.116000 -0.793778 1.260862
C 0.845231 1.344399 -0.685698
C -6.321173 -0.261063 1.587384
C 1.970507 0.608133 -0.153728
C 0.766139 2.714277 -0.405520
C 2.932839 1.346732 0.651288
C 2.200224 -0.782289 -0.378978
C 1.760441 3.348973 0.399847
C 4.061334 0.658854 1.195084
C 3.320267 -1.424934 0.164539
C 4.264456 -0.701707 0.964218
C 4.587001 -3.519597 0.411203
H -4.562442 -1.151341 -1.417707
H -1.855934 1.628519 -0.493482
H -2.330710 -0.527168 -2.575414
H -3.329596 0.879617 -2.160002
H -4.435064 0.889453 0.141329
H -2.639322 -2.731053 -1.423121
H -3.406253 -2.806355 0.177654
H -2.637683 1.123322 1.657505
H -2.692858 -0.588566 2.150268
H -1.300328 -2.201734 1.111136
H -0.627438 -1.900141 -0.499814
H 0.073070 -0.292733 -1.900744
H -4.869041 -1.803943 1.627173
H 0.305846 1.771150 -3.182288
H -7.048969 -0.809353 2.196275
H -6.613963 0.742796 1.253581
H -0.061475 3.305137 -0.810992
H 1.514519 -1.388076 -0.976831
H 1.686828 4.420444 0.621700
H 4.760442 1.246303 1.797945
H 5.138269 -1.202008 1.391446
H 4.464955 -4.552558 0.053661
H 4.587777 -3.507587 1.518300
H 5.542010 -3.106216 0.032898


