%chk=000147036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147036

0 1
 O   -1.971600      0.6315000     -0.2952000    
 O   -5.433700      0.8803000      0.9006000    
 O   -4.176500      -1.883200       1.613700    
 O   -3.408900      -1.469700      -1.851600    
 O   -2.444700       3.292900     -0.8483000    
 O   0.3031000     -0.1583000     -0.1702000    
 O    1.824100      -1.875600     -0.2076000    
 N  -0.6159000      -1.207100     -0.3083000    
 N    2.469000      0.3631000      5.5000000E-03
 C   -4.112800      0.3577000      0.7950000    
 C   -4.182300      -1.123400      0.4028000    
 C   -3.314500       1.156700     -0.2309000    
 C   -3.022500      -1.571500     -0.4854000    
 C   -1.803900     -0.7046000     -0.3441000    
 C   -3.205400       2.630800      0.1450000    
 C    1.571400     -0.6790000     -0.1307000    
 C    3.878500      0.2938000      8.7600000E-02
 C    4.609000       1.463700      0.2233000    
 C    4.502400     -0.9423000      3.1399999E-02
 C    5.999800       1.395700      0.3048000    
 C    5.893300      -1.010300      0.1130000    
 C    6.642000      0.1588000      0.2497000    
 H   -3.647800      0.4576000       1.783900    
 H   -5.133400      -1.346500     -9.6400000E-02
 H   -3.755200       1.093300      -1.234000    
 H   -2.759800      -2.615700     -0.2816000    
 H   -2.693200       2.764100       1.103600    
 H   -4.187700       3.108700      0.1998000    
 H   -5.839600      0.8484000      1.7500000E-02
 H   -4.946200      -1.602900       2.138100    
 H   -2.710700      -1.885100      -2.386400    
 H   -1.574000       2.861500     -0.8887000    
 H    2.068300       1.296800      5.2499998E-02
 H    4.118900       2.432300      0.2674000    
 H    3.992200      -1.888700     -7.3100001E-02
 H    6.582800       2.305800      0.4113000    
 H    6.394700      -1.972900      7.0200004E-02
 H    7.724900      0.1058000      0.3132000    


%chk=000147036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147036

0 1
O -2.046071 0.775573 -0.258068
O -5.601452 0.910168 1.020065
O -4.254501 -1.919094 1.656641
O -3.495405 -1.505020 -1.795644
O -2.684762 3.409408 -1.092083
O 0.408270 -0.166426 -0.101894
O 1.943993 -1.985024 -0.399964
N -0.655675 -1.174154 -0.183484
N 2.604359 0.234465 0.125494
C -4.240657 0.410328 0.781988
C -4.246559 -1.101121 0.446886
C -3.490327 1.219241 -0.295076
C -3.022979 -1.533567 -0.391221
C -1.834808 -0.597489 -0.247612
C -3.423356 2.723862 -0.033176
C 1.717131 -0.790639 -0.146264
C 4.026500 0.165874 0.141317
C 4.732016 1.364333 0.431164
C 4.742286 -1.032776 -0.116024
C 6.140972 1.365888 0.463586
C 6.153343 -1.012141 -0.080327
C 6.862376 0.176490 0.207286
H -3.726857 0.559257 1.749599
H -5.133832 -1.316136 -0.189313
H -3.872334 1.009693 -1.313713
H -2.715629 -2.546500 -0.080441
H -2.969747 2.902585 0.964477
H -4.438204 3.151008 -0.042835
H -6.154114 0.752260 0.210613
H -5.015208 -1.636632 2.226292
H -2.776108 -1.859528 -2.379329
H -1.784266 2.996816 -1.149388
H 2.176086 1.140103 0.330925
H 4.179114 2.291454 0.630202
H 4.198492 -1.954046 -0.334953
H 6.673523 2.296469 0.688503
H 6.701453 -1.939874 -0.279168
H 7.957037 0.177392 0.232340


