%chk=000170628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170628

0 1
 O   -2.949800     -0.3864000      1.3000000E-03
 O   -2.578300       1.885300      3.5999999E-03
 N    3.331800     -0.6636000     -5.2000000E-03
 C    1.964500     -0.3173000     -4.9000001E-03
 C  -0.7400000      0.3669000     -1.3000000E-03
 C    4.379500      0.3099000     -4.9000001E-03
 C    1.584600       1.024800     -4.3000001E-03
 C   0.9921000      -1.317300     -3.7000000E-03
 C   0.2323000       1.366900     -2.4000001E-03
 C  -0.3602000     -0.9753000     -2.0000001E-03
 C    5.731100     -0.3775000      1.7000001E-02
 C   -2.150000      0.7236000      1.8000000E-03
 C   -4.364100     -0.1648000      2.9000000E-03
 C   -5.073400      -1.475300      2.0000001E-03
 H    3.560900      -1.651500     -1.0100000E-02
 H    4.324000      0.9390000     -0.9009000    
 H    4.308000      0.9567000      0.8774000    
 H    2.308200       1.834300     -5.7000001E-03
 H    1.275600      -2.366800     -3.8000001E-03
 H  -4.2599998E-02   2.418500     -1.8000000E-03
 H   -1.082000      -1.787200     -7.9999998E-04
 H    5.840600      -1.003000      0.9096000    
 H    5.860000      -1.021100     -0.8599000    
 H    6.537000      0.3630000      1.8200001E-02
 H   -4.636900      0.4085000      0.8961000    
 H   -4.638700      0.4108000     -0.8881000    
 H   -6.158500      -1.338600      3.3000000E-03
 H   -4.797700      -2.067400     -0.8772000    
 H   -4.795900      -2.069800      0.8790000    


%chk=000170628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170628

0 1
O -3.030615 -0.433053 -0.000100
O -2.634208 1.867826 -0.001168
N 3.384791 -0.642603 0.000656
C 2.036305 -0.313729 -0.000377
C -0.753701 0.313551 -0.001002
C 4.479810 0.335600 -0.000469
C 1.594774 1.047133 -0.001393
C 1.048750 -1.351217 -0.000097
C 0.223705 1.344170 -0.001517
C -0.316423 -1.041476 -0.000415
C 5.841959 -0.377450 0.010739
C -2.182316 0.690830 -0.001250
C -4.489830 -0.134407 0.000564
C -5.214558 -1.477371 0.001617
H 3.638260 -1.630691 -0.003816
H 4.406861 0.987622 -0.896492
H 4.397750 0.997682 0.887113
H 2.324054 1.862426 -0.002520
H 1.372953 -2.399860 0.000624
H -0.121148 2.383961 -0.002283
H -1.064918 -1.838835 -0.000121
H 5.955010 -1.006405 0.912886
H 5.963668 -1.018525 -0.881816
H 6.661085 0.361623 0.009378
H -4.724089 0.473160 0.893820
H -4.725076 0.472296 -0.893017
H -6.307828 -1.313805 0.002151
H -4.951962 -2.067006 -0.893499
H -4.950963 -2.066149 0.897004


