%chk=000176610.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176610

0 1
 O   0.4549000      -1.589100      3.9999999E-04
 O   -2.368000       1.686800      1.5000000E-03
 N  -2.3800001E-02   1.954600     -6.0000003E-04
 C    1.798000      0.2276000      1.9999999E-04
 C   0.4459000      0.6610000      1.9999999E-04
 C    1.749300      -1.162700      1.9999999E-04
 C  -0.3263000     -0.4776000      6.9999998E-04
 C    3.055700      0.8555000      9.9999997E-05
 C   -1.740900     -0.7316000      6.9999998E-04
 C    4.206700      5.5599999E-02  9.9999997E-05
 C    2.875200      -1.984100     -9.9999997E-05
 C    4.115300      -1.338600     -1.9999999E-04
 C   -2.432000     -0.8565000      -1.207700    
 C   -2.433600     -0.8542000       1.208300    
 C    5.550800      0.7058000       0.000000    
 C   -1.359400       2.384800     -6.0000003E-04
 C   -3.805200      -1.102400      -1.208400    
 C   -3.806700      -1.099900       1.207600    
 C   -4.492700      -1.224300     -6.9999998E-04
 C   -1.463200       3.889400     -1.5000000E-03
 H    3.130800       1.939200      2.0000001E-03
 H    2.796200      -3.064700      3.0000001E-04
 H    5.018400      -1.945300      1.6000000E-03
 H   0.6987000       2.670900     -1.3000000E-03
 H   -1.911400     -0.7639000      -2.158100    
 H   -1.914200     -0.7597000       2.159300    
 H    5.898200      0.8489000       1.028000    
 H    6.284500      9.5500000E-02 -0.5377000    
 H    5.519400       1.680600     -0.4985000    
 H   -4.339200      -1.198500      -2.149200    
 H   -4.342100      -1.194200       2.147800    
 H   -5.561800      -1.415400     -1.2000001E-03
 H  -0.9935000       4.292500      0.9001000    
 H   -2.514900       4.188600     -1.8900000E-02
 H  -0.9644000       4.294700     -0.8863000    


%chk=000176610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176610

0 1
O 0.351922 -1.601169 0.656558
O -1.116340 2.784915 1.064228
N -0.103721 1.772165 -0.785433
C 1.690778 0.193393 0.067692
C 0.300886 0.548032 -0.175085
C 1.678688 -1.133736 0.569667
C -0.488653 -0.547189 0.188004
C 2.931054 0.861454 -0.090494
C -1.915704 -0.866343 0.140382
C 4.124012 0.186620 0.254718
C 2.836253 -1.836656 0.925733
C 4.059746 -1.152926 0.755536
C -2.908614 0.150808 0.201194
C -2.325114 -2.227369 0.032431
C 5.475515 0.867732 0.113404
C -0.728261 2.842023 -0.137437
C -4.275552 -0.188762 0.124687
C -3.692699 -2.557595 -0.037583
C -4.675527 -1.539475 -0.000503
C -0.933816 4.081497 -1.005933
H 2.967118 1.893147 -0.458463
H 2.792208 -2.857518 1.314952
H 4.994274 -1.661633 1.020513
H 0.203458 1.924104 -1.749583
H -2.611094 1.188282 0.369855
H -1.563478 -3.012483 0.003262
H 5.986270 0.952167 1.091158
H 6.146835 0.297176 -0.555679
H 5.375500 1.886069 -0.299723
H -5.030730 0.602842 0.184019
H -3.993706 -3.607709 -0.122158
H -5.739058 -1.797368 -0.055397
H -0.434116 4.027406 -1.988895
H -0.558420 4.962266 -0.458679
H -2.015214 4.235131 -1.168847


