%chk=000017485.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017485

0 1
 O  -2.6200000E-02  -2.280900     -0.4965000    
 O  -0.7925000      0.6053000      -2.103800    
 O  -0.4939000      -2.145800       1.753400    
 N    3.563300      -1.821600      0.2171000    
 N   -1.508000      0.7268000      0.1373000    
 N  -0.3497000       2.166800       1.635800    
 C    2.191100      -1.453300     -9.8300003E-02
 C   -2.499900     -0.2927000     -6.8099998E-02
 C    4.113300      -2.704200     -0.8146000    
 C    4.400500     -0.6279000      0.3596000    
 C    1.313800      -2.690500     -0.2031000    
 C   -2.174800      -1.629100      0.1433000    
 C   -3.780600      6.6100001E-02 -0.4778000    
 C   -1.301600       1.321300       1.384500    
 C  -0.7102000       1.077800     -0.9724000    
 C   0.3575000       2.063100     -0.7012000    
 C   0.5073000       2.547000      0.5984000    
 C  -0.8422000      -2.035600      0.5724000    
 C   -3.139600      -2.616400     -5.7000000E-02
 C    5.521800      -3.150700     -0.4613000    
 C    3.850100      0.3047000       1.425300    
 C   -4.745300     -0.9214000     -0.6779000    
 C   -4.154600       1.493900     -0.7117000    
 C   -4.424700      -2.262500     -0.4675000    
 C   -2.252400       1.039400       2.530000    
 C    1.217600       2.482500      -1.723300    
 C    1.532700       3.461300      0.8671000    
 C    2.234300       3.394000      -1.442300    
 C    2.392800       3.882700     -0.1477000    
 H    2.124200     -0.8712000      -1.027400    
 H    1.748800     -0.8306000      0.6859000    
 H    3.543200      -3.634400     -0.8852000    
 H    4.107300      -2.233200      -1.805500    
 H    5.406700     -0.8993000      0.6948000    
 H    4.500300     -8.3400004E-02 -0.5879000    
 H    1.352900      -3.310100      0.7010000    
 H    1.585400      -3.327000      -1.048500    
 H   -2.902200      -3.665000      0.1037000    
 H    6.262000      -2.358900     -0.6111000    
 H    5.587600      -3.509700      0.5717000    
 H    5.818400      -3.980100      -1.113600    
 H    2.960700      0.8415000       1.090500    
 H    3.617300     -0.2295000       2.352800    
 H    4.599600       1.066600       1.667700    
 H   -5.751500     -0.6640000     -0.9978000    
 H   -5.205300       1.594000      -1.006000    
 H   -4.018700       2.092700      0.1931000    
 H   -3.552200       1.920300      -1.520500    
 H   -5.175800      -3.031400     -0.6234000    
 H   -2.313200     -3.5599999E-02   2.716700    
 H   -3.249900       1.413000       2.287800    
 H   -1.908900       1.530800       3.445200    
 H    1.114100       2.109700      -2.738500    
 H    1.665800       3.854000       1.872400    
 H    2.904000       3.721100      -2.232200    
 H    3.185100       4.592200      7.2300002E-02


%chk=000017485-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017485

0 1
O 0.138368 -1.275282 -0.211991
O -1.905650 0.256851 -2.736786
O -0.498788 -2.945946 1.278253
N 3.693933 -1.466583 1.093641
N -1.527339 0.816450 -0.487404
N 0.213603 2.332278 0.198599
C 2.264708 -1.078152 1.089844
C -2.549768 -0.143645 -0.094994
C 4.631302 -0.349183 0.808481
C 4.084318 -2.322165 2.241900
C 1.560881 -1.738390 -0.113497
C -2.193215 -1.424759 0.416530
C -3.911287 0.243781 -0.219934
C -0.807536 1.538801 0.488880
C -1.220225 0.898494 -1.889230
C -0.077674 1.772650 -2.203885
C 0.608266 2.451250 -1.146950
C -0.794746 -1.956184 0.558214
C -3.222311 -2.306992 0.836779
C 5.974003 -0.816343 0.212749
C 3.395754 -3.700841 2.226373
C -4.911534 -0.669655 0.194279
C -4.288263 1.590896 -0.802152
C -4.573622 -1.933531 0.724924
C -1.236801 1.407819 1.930645
C 0.346932 1.929514 -3.549011
C 1.720805 3.280351 -1.462498
C 1.446883 2.750701 -3.846437
C 2.133713 3.426294 -2.797331
H 2.144120 0.021644 1.019430
H 1.763209 -1.402168 2.023331
H 4.137764 0.316598 0.075857
H 4.823337 0.269622 1.722137
H 5.177781 -2.472752 2.194395
H 3.872528 -1.811669 3.216898
H 1.580805 -2.836848 -0.025357
H 2.011903 -1.416397 -1.064208
H -2.929782 -3.280073 1.242702
H 6.550652 -1.438990 0.920214
H 5.797485 -1.410783 -0.700778
H 6.600371 0.057328 -0.047112
H 2.295014 -3.616126 2.280489
H 3.653052 -4.246771 1.301243
H 3.727912 -4.302456 3.092925
H -5.964308 -0.380616 0.097704
H -5.367218 1.784796 -0.683581
H -3.733528 2.420097 -0.326407
H -4.048825 1.616226 -1.881225
H -5.361091 -2.623959 1.044430
H -0.988657 0.412774 2.342497
H -2.326009 1.545029 2.050273
H -0.700832 2.170879 2.512936
H -0.202179 1.393920 -4.330339
H 2.229525 3.794203 -0.641158
H 1.777703 2.873270 -4.883119
H 2.990154 4.067343 -3.034469


