%chk=000158930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158930

0 1
 O   -4.044600      0.3998000      0.1833000    
 O   0.9142000      -3.526700      8.0000004E-03
 O   -2.949100       2.912100      0.2623000    
 O    4.950000       1.942000     -0.1447000    
 N   0.4302000      -1.239500      4.2399999E-02
 N   -2.658100      0.6064000      0.1818000    
 C  -0.5438000     -0.2763000      9.1100000E-02
 C   5.9300002E-02   1.026600      7.4900001E-02
 C    1.508900      0.8148000      5.7999999E-03
 C    1.695700     -0.5977000     -1.1300000E-02
 C   -1.850700     -0.5017000      0.1470000    
 C  -0.7162000       2.116900      0.1270000    
 C   0.1203000      -2.591700      4.8300002E-02
 C    2.581000       1.682200     -3.7799999E-02
 C    2.958800      -1.152900     -7.2600000E-02
 C   -2.276000      -1.881900      0.1583000    
 C   -2.218300       1.925100      0.2055000    
 C   -1.366800      -2.876200      0.1129000    
 C    3.860300       1.123000     -0.1000000    
 C    4.046200     -0.2743000     -0.1172000    
 C   -4.501500      0.3700000      -1.165100    
 H  -0.3258000       3.127000      0.1228000    
 H    2.434300       2.756800     -2.4200000E-02
 H   -3.332800      -2.117600      0.2104000    
 H    3.124700      -2.223000     -8.6800002E-02
 H   -1.670900      -3.917000      0.1234000    
 H    5.053900     -0.6812000     -0.1658000    
 H   -5.581600      0.1986000      -1.151200    
 H   -4.034800     -0.4426000      -1.730200    
 H   -4.314800       1.327500      -1.661600    
 H    4.649800       2.867000     -0.1252000    


%chk=000158930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158930

0 1
O -4.075899 0.220097 0.144186
O 1.124410 -3.584025 0.123128
O -3.098933 2.825562 -0.013945
O 5.094741 1.934147 -0.065948
N 0.514456 -1.306235 0.044075
N -2.677859 0.499106 -0.017523
C -0.477581 -0.329219 0.012893
C 0.085023 0.989369 -0.029714
C 1.542971 0.784198 -0.024749
C 1.779357 -0.631009 0.019991
C -1.838081 -0.611545 0.026376
C -0.788352 2.071316 -0.053692
C 0.211873 -2.701369 0.096714
C 2.632767 1.677857 -0.054681
C 3.077631 -1.171632 0.035402
C -2.226797 -1.998210 0.089975
C -2.243797 1.887448 -0.023831
C -1.238227 -2.972390 0.120083
C 3.940366 1.134884 -0.038946
C 4.159898 -0.268274 0.005219
C -4.854176 0.649033 -1.060364
H -0.457288 3.113004 -0.069653
H 2.470597 2.761934 -0.088457
H -3.286428 -2.263888 0.123363
H 3.228269 -2.252294 0.070042
H -1.501669 -4.032710 0.169029
H 5.192368 -0.628730 0.015489
H -5.878720 0.321966 -0.825908
H -4.476514 0.136952 -1.963750
H -4.799394 1.743870 -1.160059
H 4.866787 2.896286 -0.093245


