%chk=000022417.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022417

0 1
 O    5.582000       3.932300     -0.5678000    
 O   -8.010600      0.7844000      0.5120000    
 O   -7.895800      -1.292800     -0.1887000    
 N    4.320100      0.5316000      1.5400000E-02
 N   -1.224300     -2.3600001E-02  0.5780000    
 N   -1.796200      0.3043000     -0.4875000    
 N    7.088700      -3.452700     -0.1038000    
 N   -7.350900     -0.1995000      9.7900003E-02
 C    2.924000      0.3870000      0.1554000    
 C    4.962300       1.792400      0.3298000    
 C    5.128700     -0.5742000     -0.4579000    
 C    2.312800     -0.8259000     -0.1624000    
 C   0.9322000     -0.9685000     -2.3900000E-02
 C    2.154600       1.457200      0.6117000    
 C    4.981900       2.686200     -0.8984000    
 C    5.605200      -1.436600      0.7061000    
 C   0.1628000      0.1018000      0.4325000    
 C   0.7740000       1.314600      0.7504000    
 C   0.2999000      -2.277200     -0.3693000    
 C    6.434200      -2.563100      0.2522000    
 C   -3.188300      0.1784000     -0.3422000    
 C   -3.935200       1.259700      0.1149000    
 C   -3.809400      -1.026900     -0.6548000    
 C   -5.944700     -7.1300000E-02 -5.1300000E-02
 C   -5.316800       1.134500      0.2608000    
 C   -5.191000      -1.152000     -0.5091000    
 H    6.004800       1.605400      0.6246000    
 H    4.554000       2.298900       1.211300    
 H    6.020000     -0.1672000     -0.9579000    
 H    4.652300      -1.160000      -1.252300    
 H    2.869100      -1.691800     -0.5031000    
 H    2.563200       2.430100      0.8595000    
 H    3.971900       2.891400      -1.266200    
 H    5.548600       2.234300      -1.719400    
 H    6.180600     -0.8265000       1.412900    
 H    4.748200      -1.828200       1.266200    
 H   0.1824000       2.155300       1.104100    
 H    1.046800      -3.058800     -0.5456000    
 H  -0.3391000      -2.626800      0.4486000    
 H  -0.3008000      -2.180000      -1.279400    
 H    6.490000       3.750600     -0.2711000    
 H   -3.453700       2.202700      0.3597000    
 H   -3.229200      -1.873500      -1.012200    
 H   -5.871900       1.997300      0.6202000    
 H   -5.645900      -2.106500     -0.7616000    


%chk=000022417-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022417

0 1
O 5.565595 4.140450 -0.420204
O -8.364827 0.796474 0.384547
O -8.061573 -1.407034 -0.131738
N 4.420291 0.532970 -0.051164
N -1.186530 -0.356505 -0.109618
N -1.972698 0.667903 0.162799
N 7.376756 -3.394685 0.239101
N -7.609214 -0.222184 0.127217
C 3.033511 0.334019 -0.062836
C 5.011658 1.834156 0.323146
C 5.355222 -0.551881 -0.378901
C 2.466723 -0.947038 -0.364470
C 1.078204 -1.169162 -0.383453
C 2.130370 1.413017 0.227831
C 5.091037 2.827469 -0.866506
C 5.630599 -1.479028 0.852896
C 0.195787 -0.076661 -0.082937
C 0.752602 1.203948 0.218493
C 0.529828 -2.544240 -0.710351
C 6.592054 -2.544409 0.531595
C -3.364256 0.353832 0.131622
C -4.236699 1.443549 0.411099
C -3.911449 -0.935155 -0.150206
C -6.146100 -0.021585 0.128971
C -5.629632 1.264309 0.411332
C -5.300013 -1.123980 -0.151659
H 6.030093 1.654150 0.718577
H 4.439312 2.304841 1.141573
H 6.310041 -0.109514 -0.711479
H 4.976104 -1.154481 -1.222215
H 3.115107 -1.798383 -0.592134
H 2.509942 2.413364 0.451246
H 4.085232 3.012901 -1.275945
H 5.724792 2.410312 -1.677195
H 6.026673 -0.873505 1.689723
H 4.683653 -1.930723 1.201001
H 0.061332 2.023380 0.437987
H 1.344719 -3.259762 -0.914182
H -0.083042 -2.934335 0.121122
H -0.133670 -2.505669 -1.591961
H 6.539510 4.108165 -0.245587
H -3.789918 2.419563 0.623757
H -3.225372 -1.759801 -0.361975
H -6.319519 2.085178 0.622112
H -5.750731 -2.097431 -0.362731


