%chk=000126882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126882

1 1
 O    3.071500     -0.4470000     -5.0000002E-04
 O    5.269800      0.2633000      3.9999999E-04
 N   -3.716100     -0.6194000     -1.9999999E-04
 C   -3.147400      0.7923000      3.9999999E-04
 C   -3.240200      -1.358700       1.242000    
 C   -5.236600     -0.5535000       0.000000    
 C   -3.240400      -1.357500      -1.243200    
 C   -1.647400      0.8217000      3.9999999E-04
 C  -0.9594000      0.8359000      -1.207600    
 C  -0.9589000      0.8339000       1.208300    
 C    1.132900      0.8748000      9.9999997E-05
 C   0.4353000      0.8623000      -1.207800    
 C   0.4357000      0.8605000       1.208300    
 C    2.624000      0.9031000      3.9999999E-04
 C    4.427300     -0.6240000     -3.0000001E-04
 C    4.749600      -2.087600     -7.9999998E-04
 H   -3.546300       1.310100      0.8826000    
 H   -3.546500       1.310900     -0.8812000    
 H   -3.474900     -0.7555000       2.123900    
 H   -3.779500      -2.310400       1.293000    
 H   -2.170500      -1.568800       1.167400    
 H   -5.630700      -1.574100     -3.9999999E-04
 H   -5.559500     -2.1100000E-02  0.8995000    
 H   -5.559700     -2.0199999E-02 -0.8989000    
 H   -3.475200     -0.7536000      -2.124500    
 H   -2.170700      -1.567600      -1.168900    
 H   -3.779400      -2.309300      -1.294800    
 H   -1.488300      0.8373000      -2.156500    
 H   -1.487600      0.8337000       2.157300    
 H   0.9670000      0.8734000      -2.155700    
 H   0.9675000      0.8702000       2.156000    
 H    3.000500       1.426200     -0.8873000    
 H    3.000300       1.425000      0.8889000    
 H    4.340900      -2.556600     -0.8993000    
 H    4.342200      -2.556800      0.8981000    
 H    5.835400      -2.220000     -1.7000000E-03


%chk=000126882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126882

1 1
O 3.163407 -0.481853 -0.000338
O 5.345429 0.337525 -0.000230
N -3.807639 -0.655064 -0.000201
C -3.163309 0.788974 0.000746
C -3.382617 -1.430473 1.242734
C -5.326153 -0.490327 -0.000124
C -3.382571 -1.428861 -1.244126
C -1.654673 0.809197 0.000583
C -0.931773 0.852342 -1.222018
C -0.931507 0.850946 1.223076
C 1.199134 0.910026 0.000332
C 0.476586 0.897972 -1.219823
C 0.476852 0.896595 1.220624
C 2.708609 0.944723 0.000180
C 4.572143 -0.642203 -0.000479
C 4.939263 -2.106176 -0.000780
H -3.581080 1.275730 0.898834
H -3.581303 1.276997 -0.896550
H -3.706220 -0.879516 2.139411
H -3.859344 -2.422354 1.221342
H -2.288471 -1.534750 1.244578
H -5.799204 -1.484371 -0.000717
H -5.630316 0.064683 0.900449
H -5.630293 0.065749 -0.900049
H -3.705999 -0.876646 -2.140094
H -2.288439 -1.533288 -1.245988
H -3.859442 -2.420701 -1.224117
H -1.469613 0.876232 -2.178095
H -1.469134 0.873737 2.179300
H 1.021356 0.934965 -2.169417
H 1.021836 0.932510 2.170139
H 3.120235 1.447265 -0.893019
H 3.120436 1.446674 0.893621
H 4.516662 -2.606410 -0.889199
H 4.518714 -2.606175 0.888763
H 6.033138 -2.210773 -0.001947


