%chk=000072653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072653

0 1
 O  -0.7355000      -1.420000     -0.2095000    
 O   -2.960200      -1.923200     -0.3509000    
 O   -4.588100     -4.5499999E-02  0.2913000    
 O   -4.071900       1.957500     -0.7484000    
 N    4.014000     -0.3823000      3.2299999E-02
 C    2.678500      3.0600000E-02  4.3000001E-03
 C    4.334900      -1.775000     -0.2634000    
 C    1.625800     -0.9120000     -5.6499999E-02
 C    5.073200      0.6117000     -0.1159000    
 C    2.344600       1.405300      7.3899999E-02
 C    1.924800      -2.391400     -0.1170000    
 C    3.325700      -2.701500      0.3965000    
 C    4.733100       1.872800      0.6645000    
 C    3.423500       2.458700      0.1526000    
 C   0.2969000     -0.4589000     -0.1092000    
 C    1.003500       1.823500      2.3700001E-02
 C  -2.6600000E-02  0.8911000     -7.0299998E-02
 C   -1.424000       1.292800     -0.1279000    
 C   -2.390900      0.3728000     -0.2185000    
 C   -2.081800      -1.072200     -0.2655000    
 C   -3.768000      0.8780000     -0.2693000    
 C   -5.975700      0.3047000      0.3161000    
 C   -6.755900     -0.8174000      0.9671000    
 H    5.336900      -2.017800      0.1095000    
 H    4.345700      -1.928900      -1.349600    
 H    5.214200      0.8442000      -1.178800    
 H    6.021800      0.2083000      0.2574000    
 H    1.203200      -2.954100      0.4864000    
 H    1.827300      -2.722800      -1.158000    
 H    3.359300      -2.567800       1.485700    
 H    3.576000      -3.747800      0.1896000    
 H    5.536700       2.610800      0.5651000    
 H    4.640900       1.632900       1.731800    
 H    3.569400       2.881900     -0.8488000    
 H    3.112600       3.271200      0.8198000    
 H   0.7748000       2.887200      5.7100002E-02
 H   -1.637900       2.356600     -8.7200001E-02
 H   -6.108800       1.229400      0.8888000    
 H   -6.331900      0.4574000     -0.7088000    
 H   -7.823400     -0.5826000       1.002200    
 H   -6.617100      -1.753300      0.4157000    
 H   -6.398600     -0.9937000       1.987000    


%chk=000072653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072653

0 1
O -0.654937 -1.449321 0.069842
O -2.846855 -2.125597 0.174874
O -4.780949 -0.129564 0.280439
O -4.057229 2.082018 0.266598
N 4.055504 -0.359176 -0.104942
C 2.723639 0.048662 -0.055537
C 4.402393 -1.786441 -0.287381
C 1.675919 -0.931415 -0.018638
C 5.165899 0.611820 -0.213018
C 2.397945 1.463410 -0.042061
C 1.975414 -2.421068 -0.033552
C 3.410042 -2.700008 0.452816
C 4.821157 1.945082 0.471622
C 3.510892 2.499034 -0.120510
C 0.346549 -0.479663 0.038054
C 1.062772 1.855299 0.028206
C -0.003309 0.907337 0.066735
C -1.380991 1.252931 0.132010
C -2.409539 0.304670 0.171306
C -2.108866 -1.129954 0.145753
C -3.795332 0.845606 0.242388
C -6.186203 0.372107 0.355110
C -7.080949 -0.862944 0.382456
H 5.428187 -1.936292 0.097301
H 4.413489 -2.043434 -1.369720
H 5.417402 0.793726 -1.282001
H 6.057838 0.157116 0.257920
H 1.232657 -2.950783 0.587273
H 1.841946 -2.817461 -1.060840
H 3.486379 -2.513066 1.540279
H 3.681304 -3.756225 0.273832
H 5.653209 2.656521 0.320229
H 4.708493 1.782688 1.559864
H 3.688753 2.782806 -1.178869
H 3.203919 3.421923 0.403875
H 0.816896 2.924393 0.047152
H -1.682289 2.307267 0.156314
H -6.287863 0.993362 1.263846
H -6.374597 1.017170 -0.522617
H -8.141915 -0.557155 0.438917
H -6.936857 -1.469970 -0.527139
H -6.848917 -1.494211 1.256715


