%chk=000156244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156244

0 1
 O    4.927700      0.6640000      7.4900001E-02
 O   0.7564000       2.888700     -2.5699999E-02
 O    5.069400      -1.739600      0.1077000    
 O   -1.695900       3.873300     -7.6200001E-02
 O   -4.784500     -8.2599998E-02 -7.6399997E-02
 O   -4.545700      -2.672100     -4.1099999E-02
 N   -2.207400      -2.531800     -5.1000002E-03
 C   -1.187000     -0.2828000     -1.6799999E-02
 C  -3.3000000E-02  0.5572000     -8.2000000E-03
 C   -1.048000      -1.684400      3.1000001E-03
 C    1.277600     -2.8000001E-02  2.1000000E-02
 C    1.393200      -1.446900      4.0899999E-02
 C   -2.458600      0.3152000     -4.5299999E-02
 C   0.2409000      -2.238700      3.1599998E-02
 C  -0.2453000       1.958900     -2.9400000E-02
 C    2.485700      0.7216000      3.2000002E-02
 C   -2.632100       1.700600     -6.5700002E-02
 C    2.653100      -2.075600      7.0200004E-02
 C   -1.520100       2.521900     -5.7799999E-02
 C   -3.650300     -0.5381000     -5.3199999E-02
 C    3.703500      7.0000000E-02  6.0800001E-02
 C    3.785200      -1.294000      7.9499997E-02
 C   -3.503300      -2.025700     -3.2400001E-02
 C   -2.018900      -3.980400      1.5900001E-02
 C    5.791100     -0.4909000      0.1046000    
 C    1.247700       3.310500      -1.294200    
 C   -1.801300       4.529800       1.185200    
 H   0.3759000      -3.318400      4.7600001E-02
 H    2.562000       1.791800      9.3900003E-02
 H    2.744100      -3.158400      8.5600004E-02
 H   -3.624200       2.143800     -8.8299997E-02
 H   -1.463100      -4.292800     -0.8737000    
 H   -2.980700      -4.502100      6.3000000E-03
 H   -1.493100      -4.270500      0.9309000    
 H    6.412700     -0.4419000       1.006200    
 H    6.443900     -0.4643000     -0.7754000    
 H    1.378500       2.471500      -1.985700    
 H    2.212500       3.804800      -1.148200    
 H   0.5577000       4.036400      -1.735800    
 H   -1.915900       5.602000       1.004600    
 H  -0.8977000       4.370400       1.782000    
 H   -2.679800       4.171200       1.731100    


%chk=000156244-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156244

0 1
O 5.017273 0.591866 0.264010
O 0.804642 2.853852 -0.200965
O 5.155244 -1.806443 0.215645
O -1.818717 3.889846 -0.088908
O -4.908625 -0.134474 -0.094561
O -4.528208 -2.913973 -0.060302
N -2.209470 -2.594556 -0.025067
C -1.210668 -0.315433 -0.028220
C -0.037785 0.538943 -0.029434
C -1.061516 -1.757731 -0.014888
C 1.302041 -0.060912 0.031648
C 1.397030 -1.507133 0.030296
C -2.527397 0.249985 -0.060399
C 0.214508 -2.314888 -0.002016
C -0.276391 1.959000 -0.113488
C 2.516438 0.706818 0.123661
C -2.709096 1.645875 -0.061979
C 2.671668 -2.173296 0.081663
C -1.595233 2.495349 -0.068181
C -3.734591 -0.605196 -0.070715
C 3.721608 0.026429 0.175187
C 3.807997 -1.389481 0.148704
C -3.543187 -2.124431 -0.051004
C -2.030410 -4.063734 -0.009225
C 5.960270 -0.555927 0.299572
C 0.844685 3.709378 -1.418567
C -1.365539 4.611291 1.125743
H 0.348293 -3.398891 -0.001885
H 2.476955 1.792569 0.161754
H 2.726825 -3.264795 0.077051
H -3.721642 2.059966 -0.055478
H -1.475977 -4.399784 -0.903369
H -3.033457 -4.514521 -0.013597
H -1.490936 -4.381050 0.900661
H 6.505031 -0.545819 1.258963
H 6.627533 -0.501539 -0.577161
H 0.975149 3.072843 -2.312190
H 1.723314 4.357311 -1.282726
H -0.077389 4.308023 -1.501382
H -1.609999 5.668263 0.943017
H -0.278600 4.485617 1.279072
H -1.918768 4.244383 2.010061


