%chk=000152662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152662

0 1
 O  -0.4450000      0.5696000       1.369800    
 O    1.823500     -7.1300000E-02   2.885500    
 N    3.291500     -0.3953000     -0.4984000    
 N   -4.311800     -0.7073000     -0.8788000    
 C    4.666000     -0.3124000     -0.9734000    
 C    3.228400     -0.2195000      0.9462000    
 C    1.792900     -0.2916000       1.472400    
 C    4.668700     -0.4932000      -2.495100    
 C    5.226700       1.065700     -0.6068000    
 C    5.500800      -1.414400     -0.3105000    
 C   0.8640000      0.7419000      0.8390000    
 C   -2.466200     -2.4499999E-02  0.1725000    
 C   -1.490900      0.9169000      0.5569000    
 C   -3.509800      0.3897000     -0.6579000    
 C   -2.670500      -1.406800      0.4418000    
 C   -3.812800      -1.797600     -0.2182000    
 C   -1.595200       2.234700      9.7099997E-02
 C   -3.627200       1.703600      -1.125000    
 C   -2.647800       2.619800     -0.7311000    
 C   -4.485400      -3.108000     -0.2859000    
 H    2.883400      -1.295100     -0.7509000    
 H    3.790200     -0.9863000       1.490000    
 H    3.621600      0.7498000       1.269700    
 H    1.386000      -1.298700       1.318700    
 H    4.065700      0.2776000      -2.989600    
 H    5.685000     -0.4268000      -2.900200    
 H    4.262700      -1.470200      -2.783000    
 H    5.475100       1.171800      0.4545000    
 H    4.539500       1.873000     -0.8876000    
 H    6.163500       1.247300      -1.148800    
 H    5.017900      -2.395500     -0.3927000    
 H    6.475500      -1.499300     -0.8074000    
 H    5.720700      -1.223200      0.7450000    
 H   0.8516000      0.6288000     -0.2518000    
 H    1.200900       1.754600       1.090100    
 H   -2.047000      -2.045100       1.053400    
 H   -5.147800     -0.7041000      -1.447000    
 H   0.9065000     -0.1172000       3.206400    
 H  -0.8581000       2.978800      0.3888000    
 H   -4.446500       2.004500      -1.769300    
 H   -2.710800       3.649100      -1.075100    
 H   -3.946100      -3.859800      0.2994000    
 H   -5.504100      -3.041400      0.1097000    
 H   -4.539500      -3.462800      -1.320200    


%chk=000152662-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152662

0 1
O -0.401763 -0.527402 0.275861
O 1.475859 -1.315893 2.212866
N 3.862742 -0.583535 -0.551362
N -5.025382 -0.246842 -0.256855
C 5.201886 0.060037 -0.763883
C 3.344240 -0.680881 0.832487
C 1.858454 -1.077424 0.813823
C 5.526181 -0.108345 -2.268492
C 5.104723 1.569981 -0.429580
C 6.326218 -0.600296 0.089725
C 0.973521 0.005890 0.193577
C -2.760203 -0.263193 -0.053306
C -1.454738 0.286213 -0.179412
C -3.878621 0.520997 -0.496735
C -3.277655 -1.514526 0.453929
C -4.667121 -1.482762 0.318738
C -1.291855 1.572621 -0.735340
C -3.737233 1.813006 -1.055395
C -2.428308 2.319133 -1.165736
C -5.707245 -2.505309 0.677380
H 3.844436 -1.507621 -1.009499
H 3.873719 -1.420055 1.475650
H 3.438209 0.301958 1.328036
H 1.723862 -2.012267 0.223406
H 4.739610 0.362289 -2.884532
H 6.496815 0.357778 -2.514690
H 5.586651 -1.179859 -2.544059
H 4.929131 1.743903 0.647645
H 4.275845 2.029314 -0.996463
H 6.046213 2.082260 -0.698708
H 6.430364 -1.673206 -0.161975
H 7.300687 -0.110047 -0.092112
H 6.105787 -0.521300 1.169922
H 1.265222 0.192242 -0.856507
H 1.042661 0.944582 0.780366
H -2.698178 -2.339624 0.861600
H -5.978110 0.042817 -0.467661
H 0.486599 -1.400578 2.230898
H -0.297097 2.012896 -0.846880
H -4.600128 2.398753 -1.388880
H -2.269989 3.315350 -1.593427
H -5.224770 -3.395918 1.111016
H -6.428959 -2.119253 1.423652
H -6.286483 -2.836081 -0.206891


