%chk=000085353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085353

0 1
 O   -7.687300     -0.7647000      0.7877000    
 O    7.688200     -0.7634000     -0.7839000    
 O   -7.688500      0.7712000     -0.7806000    
 O    7.687300      0.7704000      0.7867000    
 N   -1.439100     -3.3000000E-03 -3.5000001E-03
 N    1.439300     -3.5000001E-03   0.000000    
 N   -7.079900      3.1000001E-03  2.7999999E-03
 N    7.079700      3.3000000E-03  1.3000000E-03
 C  -0.6858000      -1.210100      0.3369000    
 C  -0.6850000       1.202900     -0.3447000    
 C   0.6861000      -1.209500     -0.3431000    
 C   0.6852000       1.203400      0.3385000    
 C   -2.831500     -2.9000000E-03 -3.3000000E-03
 C    2.831700     -2.9000000E-03  1.7000000E-03
 C   -3.567700     -0.8454000      0.8621000    
 C    3.568800     -0.8442000     -0.8639000    
 C   -3.567300      0.8426000     -0.8663000    
 C    3.566000      0.8413000      0.8670000    
 C   -4.962700     -0.8426000      0.8645000    
 C    4.963700     -0.8413000     -0.8644000    
 C   -4.962200      0.8455000     -0.8638000    
 C    4.960900      0.8443000      0.8663000    
 C   -5.659900      2.9000000E-03  1.5000000E-03
 C    5.659800      3.0000000E-03  6.9999998E-04
 H   -1.221200      -2.110700      1.1900000E-02
 H  -0.5633000      -1.264500       1.425800    
 H   -1.220800       2.104200     -2.2600001E-02
 H  -0.5602000       1.255300      -1.433400    
 H    1.221400      -2.110800     -1.9900000E-02
 H   0.5638000      -1.261800      -1.432100    
 H    1.221300       2.104100      1.4800000E-02
 H   0.5602000       1.258000       1.427100    
 H   -3.056800      -1.507500       1.557700    
 H    3.058700      -1.505300      -1.561100    
 H   -3.056000       1.503100      -1.563100    
 H    3.053700       1.500800       1.564000    
 H   -5.472800      -1.510300       1.554000    
 H    5.474900      -1.508100      -1.554200    
 H   -5.472400       1.514700      -1.551900    
 H    5.470100       1.512600       1.556000    


%chk=000085353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085353

0 1
O -7.775445 -1.019354 0.519964
O 7.776363 -1.018885 -0.514893
O -7.775930 1.019272 -0.515039
O 7.775110 1.018896 0.521721
N -1.464923 -0.001093 -0.002687
N 1.464938 -0.000891 -0.001875
N -7.163208 -0.000208 0.001844
N 7.163241 0.000062 0.002563
C -0.687387 -1.207293 0.344871
C -0.687363 1.204853 -0.350937
C 0.687593 -1.206562 -0.351573
C 0.687179 1.204954 0.346380
C -2.858444 -0.000900 -0.001686
C 2.858460 -0.000777 -0.000843
C -3.597579 -1.089693 0.571044
C 3.598555 -1.089030 -0.573360
C -3.598168 1.088090 -0.573259
C 3.597232 1.087814 0.572720
C -4.997751 -1.090237 0.569554
C 4.998724 -1.089532 -0.569598
C -4.998334 1.089070 -0.569488
C 4.997401 1.088844 0.571210
C -5.697913 -0.000465 0.000621
C 5.697940 -0.000220 0.001380
H -1.232233 -2.105610 0.003147
H -0.549389 -1.295549 1.443513
H -1.232511 2.103386 -0.010342
H -0.548732 1.292148 -1.449571
H 1.232518 -2.105379 -0.011372
H 0.549648 -1.292969 -1.450369
H 1.232246 2.103603 0.005884
H 0.548482 1.292120 1.445017
H -3.075722 -1.923529 1.048034
H 3.077527 -1.922451 -1.051980
H -3.076832 1.921744 -1.051152
H 3.075073 1.921106 1.050342
H -5.565766 -1.912852 1.012405
H 5.567473 -1.911751 -1.012242
H -5.566805 1.911853 -1.011442
H 5.565134 1.911313 1.014694


