%chk=000028221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028221

0 1
 O   0.1456000      0.7292000      -1.114800    
 O   0.5586000       1.252100       1.097200    
 N   -3.480900      0.9709000     -0.4899000    
 C    2.193200      3.2400001E-02 -0.2007000    
 C    3.004200     -6.3999998E-03   1.107700    
 C    2.979400      0.7380000      -1.320800    
 C    1.833900      -1.395000     -0.6346000    
 C    3.549300       1.364100       1.511700    
 C    3.525300       2.102400     -0.8977000    
 C    4.345500       2.009400      0.3836000    
 C    1.057700      -2.118300      0.4621000    
 C   0.8834000      0.7456000      3.1700000E-02
 C   0.6130000      -3.534200      5.1199999E-02
 C  -0.1112000      -4.269700       1.179700    
 C  -0.2941000      -3.456500      -1.179300    
 C   -1.129000       1.374800      -1.035100    
 C   -2.168000      0.3530000     -0.6015000    
 C   -3.591800       1.730000      0.7581000    
 C   -4.537800     -4.1099999E-02 -0.5614000    
 C   -4.933700       2.436300      0.8536000    
 C   -4.442700      -1.017000      0.5991000    
 H    2.408400     -0.3676000       1.953600    
 H    3.850000     -0.6978000      0.9958000    
 H    3.829500      0.1076000      -1.615100    
 H    2.370800      0.8657000      -2.224200    
 H    2.750000      -1.960100     -0.8517000    
 H    1.268200      -1.368500      -1.571100    
 H    2.743000       2.037400       1.820000    
 H    4.198700       1.246800       2.387600    
 H    4.148000       2.511500      -1.701600    
 H    2.695700       2.804800     -0.7527000    
 H    4.671300       3.010600      0.6873000    
 H    5.252900       1.422600      0.1945000    
 H    1.682500      -2.238200       1.353600    
 H   0.1703000      -1.554400      0.7690000    
 H    1.501800      -4.121200     -0.2129000    
 H   0.5311000      -4.349400       2.063000    
 H  -0.3861000      -5.284400      0.8731000    
 H   -1.025700      -3.742700       1.472700    
 H   0.2559000      -3.158400      -2.076200    
 H  -0.7299000      -4.438100      -1.397800    
 H   -1.120100      -2.754300      -1.025500    
 H   -1.361300       1.746400      -2.039800    
 H   -1.069600       2.252800     -0.3839000    
 H   -1.846800     -0.1285000      0.3304000    
 H   -2.169500     -0.4401000      -1.361600    
 H   -3.401700       1.138000       1.660400    
 H   -2.837000       2.524400      0.7662000    
 H   -5.535400      0.4077000     -0.6099000    
 H   -4.443900     -0.5953000      -1.504400    
 H   -4.901900       3.174700       1.662800    
 H   -5.754400       1.751500       1.087200    
 H   -5.174100       2.976300     -6.8700001E-02
 H   -5.197800      -1.799800      0.4565000    
 H   -4.665100     -0.5628000       1.568500    
 H   -3.481700      -1.535600      0.6591000    


%chk=000028221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028221

0 1
O 0.180541 0.917379 -1.041307
O 0.526864 1.191953 1.242278
N -3.536178 1.037028 -0.328973
C 2.258504 0.039231 -0.143192
C 3.178587 0.125270 1.108135
C 2.990768 0.658341 -1.376745
C 1.891018 -1.449449 -0.481477
C 3.737478 1.546028 1.363195
C 3.508200 2.090573 -1.114446
C 4.444675 2.124840 0.115943
C 1.134238 -2.222917 0.622425
C 0.938456 0.781555 0.130488
C 0.713286 -3.659778 0.206053
C 0.269148 -4.471408 1.446170
C -0.409584 -3.650181 -0.860405
C -1.179430 1.514104 -0.892506
C -2.211400 0.418513 -0.555268
C -3.729182 1.506665 1.068315
C -4.673519 0.289779 -0.919338
C -4.849087 2.554607 1.206469
C -4.993716 -1.089985 -0.280029
H 2.629604 -0.215466 2.003974
H 4.021531 -0.578697 0.946041
H 3.854542 0.001847 -1.612195
H 2.316160 0.642410 -2.251343
H 2.840920 -1.978169 -0.704442
H 1.297043 -1.443986 -1.414916
H 2.904530 2.211459 1.661067
H 4.440150 1.513141 2.218592
H 4.037036 2.463902 -2.012914
H 2.649336 2.772498 -0.946062
H 4.782069 3.160539 0.315063
H 5.353848 1.526976 -0.105729
H 1.771343 -2.289939 1.526220
H 0.222756 -1.665661 0.924603
H 1.602353 -4.162204 -0.233670
H 1.081612 -4.539692 2.193575
H -0.027267 -5.500291 1.168659
H -0.599901 -3.990799 1.936478
H -0.105245 -3.120228 -1.780863
H -0.694088 -4.680446 -1.144672
H -1.313385 -3.147235 -0.461881
H -1.395202 1.973084 -1.868867
H -1.151130 2.284616 -0.103245
H -1.849814 -0.161565 0.325531
H -2.274413 -0.285987 -1.404978
H -3.923470 0.657446 1.769971
H -2.775556 1.959101 1.398031
H -5.571530 0.932855 -0.870226
H -4.454553 0.148944 -1.995259
H -4.881322 2.941971 2.241419
H -5.845126 2.133382 0.978922
H -4.667507 3.399626 0.519093
H -5.832138 -1.573590 -0.815285
H -5.284895 -0.991430 0.781429
H -4.121958 -1.768964 -0.333806


