%chk=000159034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159034

0 1
 O   0.3746000      0.6214000       1.118600    
 O   0.3442000       3.269400      0.4128000    
 O    2.961300       1.231800       1.285700    
 O    4.889500     -0.3013000      4.7400001E-02
 N   -2.944800      -1.972700      0.1246000    
 C   -1.698800      -1.210100      0.4100000    
 C   -1.767500      0.2718000      7.5499997E-02
 C  -0.5712000      -1.847600     -0.4399000    
 C   -4.161500      -1.158800      0.2122000    
 C   -2.897900      0.8411000     -0.5293000    
 C   -4.097600     -1.7999999E-02 -0.8012000    
 C  -0.6859000       1.102600      0.3904000    
 C   0.8497000      -1.353500     -0.2665000    
 C   -3.070800      -3.142800       1.000000    
 C   -2.902100       2.199800     -0.8726000    
 C    1.237300     -0.2098000      0.4441000    
 C  -0.7025000       2.463700      8.2599998E-02
 C   -1.806200       3.006700     -0.5687000    
 C    1.860300      -2.109300     -0.8942000    
 C    2.592500      0.1323000      0.5643000    
 C    3.206900      -1.755700     -0.7918000    
 C    3.573700     -0.6357000     -5.6400001E-02
 C    5.416800      0.5747000     -0.9475000    
 H   -1.467800      -1.284000       1.482100    
 H  -0.8205000      -1.734400      -1.505600    
 H  -0.5464000      -2.926300     -0.2366000    
 H   -4.299200     -0.7658000       1.228800    
 H   -5.040700      -1.770800     -2.4200000E-02
 H   -5.015000      0.5770000     -0.7203000    
 H   -4.038500     -0.4079000      -1.824600    
 H   -2.207100      -3.808600      0.9100000    
 H   -3.946900      -3.738300      0.7190000    
 H   -3.174700      -2.856900       2.053000    
 H   -3.768000       2.640000      -1.360400    
 H   -1.836100       4.061600     -0.8281000    
 H    1.597700      -2.995100      -1.469600    
 H    3.960400      -2.364100      -1.284300    
 H   0.1510000       4.176500      0.1199000    
 H    3.932200       1.287600       1.295100    
 H    6.462100      0.7814000     -0.7025000    
 H    4.867400       1.521200     -0.9638000    
 H    5.375400      0.1004000      -1.933100    


%chk=000159034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159034

0 1
O 0.318162 1.064665 0.721594
O -0.121272 3.674832 0.136630
O 2.937286 1.592080 1.098541
O 4.899419 0.079311 0.141125
N -2.782171 -1.938439 0.123633
C -1.610322 -1.019410 0.208645
C -1.975283 0.449213 0.020477
C -0.580244 -1.415429 -0.899154
C -4.089558 -1.334517 0.464553
C -3.272232 0.873310 -0.370998
C -4.378987 -0.160439 -0.483494
C -0.945440 1.404725 0.185368
C 0.860658 -0.990989 -0.639840
C -2.543583 -3.200393 0.850436
C -3.510441 2.248675 -0.591155
C 1.220720 0.169331 0.102683
C -1.188324 2.784451 -0.042036
C -2.481100 3.199652 -0.439201
C 1.903229 -1.805248 -1.146674
C 2.583844 0.472657 0.346271
C 3.268226 -1.510680 -0.937298
C 3.597414 -0.371187 -0.181702
C 6.026108 -0.700315 -0.368059
H -1.108162 -1.124134 1.203265
H -0.953648 -1.002006 -1.856084
H -0.596913 -2.514070 -1.013558
H -4.133824 -0.978087 1.525760
H -4.859747 -2.120003 0.347484
H -5.356021 0.297519 -0.238712
H -4.445281 -0.556037 -1.516232
H -1.601255 -3.666628 0.513251
H -3.364121 -3.910049 0.641712
H -2.474743 -3.062093 1.958886
H -4.514519 2.580756 -0.879160
H -2.679990 4.264393 -0.618732
H 1.632382 -2.701720 -1.716296
H 4.041508 -2.167259 -1.345823
H -0.423747 4.603067 -0.027481
H 3.931635 1.625966 1.132616
H 6.928136 -0.177768 -0.017082
H 6.018132 -0.733068 -1.474613
H 6.009367 -1.731136 0.035354


