%chk=000153108.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153108

0 1
 O   -4.692400     -0.6572000      0.6657000    
 O   -4.599800      -1.347200      -1.569200    
 N  -0.1786000       2.425800     -0.1390000    
 N    4.687500      -1.612800     -7.9999998E-04
 C   0.8194000       1.596500      0.5330000    
 C   0.2253000      0.1922000      0.4692000    
 C    2.213800       1.731400     -5.0299998E-02
 C   -1.223100      0.4071000      0.4068000    
 C   0.9732000     -0.9155000      0.3081000    
 C    3.000500      0.6325000     -0.1845000    
 C    2.427300     -0.7086000      0.1698000    
 C   -1.396600       1.749000      3.3700000E-02
 C    2.649700       3.154000     -0.3095000    
 C   -2.318900     -0.4059000      0.6448000    
 C   0.4337000      -2.304100      9.6699998E-02
 C    3.319000      -1.724300      0.2572000    
 C    4.400900      0.6988000     -0.6216000    
 C   -2.660000       2.269800     -0.1990000    
 C   -3.597300      0.1231000      0.4446000    
 C    5.161500     -0.4004000     -0.4913000    
 C   -3.766500       1.447200      1.4800000E-02
 C    5.565400      -2.774000      9.9399999E-02
 C   -5.119500      -1.376700     -0.4616000    
 C   -6.324500      -2.200700     -0.1171000    
 H   0.8674000       1.906400       1.588100    
 H  -0.1499000       3.436800     -0.1231000    
 H    3.728100       3.275300     -0.4250000    
 H    2.360100       3.795100      0.5309000    
 H    2.170800       3.536200      -1.216700    
 H   -2.206400      -1.427900      0.9890000    
 H  -0.6180000      -2.316200     -0.1922000    
 H   0.5459000      -2.900400       1.007900    
 H   0.9582000      -2.812300     -0.7208000    
 H    3.029300      -2.739000      0.5077000    
 H    4.829900       1.604800      -1.027900    
 H   -2.794100       3.296300     -0.5241000    
 H    6.206700     -0.4056000     -0.7791000    
 H   -4.765800       1.843500     -0.1470000    
 H    5.553000      -3.338100     -0.8392000    
 H    5.249700      -3.440800      0.9096000    
 H    6.598400      -2.475300      0.3105000    
 H   -6.072000      -2.910700      0.6743000    
 H   -6.645500      -2.761000     -0.9998000    
 H   -7.141000      -1.546400      0.1980000    


%chk=000153108-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153108

0 1
O -4.842729 -0.544345 -0.014666
O -4.006416 -2.730331 0.265380
N -0.185814 2.600595 0.076618
N 4.694148 -1.681774 -0.082010
C 0.861596 1.667411 0.604184
C 0.233359 0.293203 0.344755
C 2.256620 1.822153 0.032721
C -1.212967 0.515799 0.211477
C 1.003119 -0.841274 0.171411
C 3.033324 0.686211 -0.104712
C 2.461368 -0.680412 0.095826
C -1.411923 1.930996 0.036932
C 2.731800 3.243060 -0.171928
C -2.323962 -0.361102 0.205856
C 0.360066 -2.201338 -0.050592
C 3.312686 -1.777775 0.113337
C 4.460992 0.701478 -0.440433
C -2.702854 2.467585 -0.170457
C -3.609866 0.196253 0.004091
C 5.237376 -0.431000 -0.406296
C -3.803488 1.584525 -0.186028
C 5.521494 -2.896569 -0.135475
C -4.960635 -1.935761 0.106622
C -6.424142 -2.315984 0.008275
H 0.908381 1.835862 1.715474
H -0.133919 3.597189 0.287711
H 3.791347 3.308219 -0.467069
H 2.612342 3.846156 0.754805
H 2.139687 3.748616 -0.960961
H -2.218839 -1.429236 0.382029
H -0.520097 -2.109336 -0.711074
H 0.007130 -2.656704 0.895175
H 1.049074 -2.913661 -0.533172
H 2.942926 -2.790279 0.288679
H 4.953047 1.643392 -0.694040
H -2.856088 3.542200 -0.314170
H 6.308815 -0.416340 -0.622734
H -4.822029 1.956616 -0.332695
H 5.510238 -3.360545 -1.142051
H 5.153442 -3.635284 0.596765
H 6.564065 -2.649347 0.125963
H -7.016815 -1.759550 0.754246
H -6.533425 -3.397697 0.172183
H -6.817634 -2.051176 -0.988953


