%chk=000100792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100792

0 1
 O  -0.9592000      0.4027000      0.6115000    
 O   -2.308900       2.962900      0.2680000    
 O   -2.511200      -1.870400      0.3587000    
 O    3.675200      -2.399100     -0.5895000    
 O    7.531300     -0.3106000      0.7950000    
 O   -2.711900      -4.151900      0.3825000    
 N    3.723600     -6.4999998E-02 -0.6077000    
 N    5.591900      -1.344500      9.9100001E-02
 C    1.353400      0.1723000      1.6000001E-02
 C    2.383100      8.9400001E-02  -1.103100    
 C  -7.2300002E-02  0.3162000     -0.5024000    
 C   -2.288400      0.5134000      0.3376000    
 C   -2.916300       1.746200      0.1762000    
 C   -3.118200     -0.6027000      0.1995000    
 C   -4.270200       1.904700     -0.1047000    
 C   -4.481100     -0.5071000     -8.1000000E-02
 C   -5.074300      0.7556000     -0.2376000    
 C    4.471500       1.077600     -0.3502000    
 C    4.278500      -1.344000     -0.3837000    
 C    5.728000       1.073500      0.1118000    
 C   -4.485400       3.306100     -0.1862000    
 C   -5.257900      -1.730700     -0.2039000    
 C    6.380800     -0.2372000      0.3717000    
 C   -3.266800       3.900200      4.6799999E-02
 C    6.514200       2.316000      0.3820000    
 C   -4.673500      -2.921300     -5.1100001E-02
 C   -3.235700      -3.052000      0.2447000    
 H    1.582000       1.017100      0.6786000    
 H    1.416100     -0.7178000      0.6555000    
 H    2.326600      0.9765000      -1.746400    
 H    2.145900     -0.7709000      -1.741200    
 H  -0.3371000     -0.5504000      -1.119900    
 H  -0.1612000       1.223500      -1.111700    
 H   -6.134200      0.8537000     -0.4563000    
 H    3.965200       2.018000     -0.5468000    
 H   -5.414700       3.819100     -0.3898000    
 H   -6.318000      -1.660000     -0.4214000    
 H    6.011600      -2.254600      0.2674000    
 H   -2.932900       4.926600      8.7499999E-02
 H    7.420200       2.336500     -0.2323000    
 H    5.939300       3.220600      0.1570000    
 H    6.807000       2.361800       1.436000    
 H   -5.249800      -3.835600     -0.1420000    


%chk=000100792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100792

0 1
O -0.933034 0.959935 -0.075081
O -2.510951 2.803186 1.448392
O -2.398793 -1.165649 -1.424013
O 3.674724 -0.908811 2.444714
O 7.587514 1.168409 0.936866
O -2.350962 -3.021896 -2.786015
N 3.812629 -0.298912 0.172802
N 5.616353 0.126145 1.631758
C 1.379790 0.324130 0.095349
C 2.435287 -0.793401 -0.068390
C -0.024708 -0.219521 -0.173836
C -2.307504 0.777296 0.004006
C -3.055017 1.721304 0.739672
C -3.086130 -0.226542 -0.637674
C -4.478712 1.708241 0.871939
C -4.518840 -0.281213 -0.516867
C -5.220393 0.690641 0.241757
C 4.548209 0.295252 -0.855861
C 4.322641 -0.396764 1.489553
C 5.814569 0.809190 -0.695111
C -4.809887 2.852745 1.710345
C -5.199624 -1.353665 -1.214743
C 6.434719 0.740013 0.637532
C -3.622706 3.472760 2.027876
C 6.606516 1.439007 -1.813524
C -4.524804 -2.283720 -1.972552
C -3.074238 -2.248877 -2.129656
H 1.583304 1.150522 -0.611451
H 1.430929 0.736975 1.117974
H 2.398505 -1.226679 -1.085034
H 2.250171 -1.599657 0.661741
H -0.324948 -0.971010 0.581942
H -0.115056 -0.667805 -1.177343
H -6.310481 0.638214 0.322057
H 4.044303 0.320767 -1.826911
H -5.801863 3.165408 2.029299
H -6.291134 -1.412089 -1.128624
H 6.015697 0.063403 2.573786
H -3.366229 4.348833 2.617173
H 7.562244 0.905111 -1.964330
H 6.043149 1.431963 -2.762429
H 6.870707 2.482967 -1.565300
H -5.039749 -3.091806 -2.497584


