%chk=000006166.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006166

0 1
 O    5.240700      0.2480000     -0.7329000    
 O   -6.320200     -0.5516000       1.023500    
 O    6.179600      -2.059500      0.2736000    
 C    1.110200       1.113000      0.3890000    
 C    2.049400     -1.4700000E-02 -8.9500003E-02
 C  -0.2799000       1.044400     -0.2516000    
 C  -0.9342000     -0.3255000      0.1117000    
 C   -2.393100     -0.4800000     -0.4685000    
 C    3.329000      0.3819000      0.6797000    
 C    1.430000      -1.351900      0.3383000    
 C   3.5999999E-03  -1.520000     -0.2155000    
 C    1.949600       2.373000      0.2063000    
 C   -1.173400       2.196800      0.2242000    
 C    3.374300       1.920700      0.5741000    
 C   -3.216000      0.7683000     -0.1246000    
 C    2.298500     -1.7700000E-02  -1.620400    
 C   -2.564200       2.104900     -0.3903000    
 C   -3.043700      -1.739600      0.1743000    
 C   -2.389500     -0.6473000      -2.004800    
 C    4.581400     -0.2621000      0.1717000    
 C   -4.553200      -1.801800      1.4000000E-03
 C   -4.465700      0.7322000      0.3673000    
 C   -5.193800     -0.5468000      0.5312000    
 C    4.980800      -1.564600      0.8319000    
 H   0.9615000       1.002400       1.476600    
 H  -0.1806000       1.131300      -1.339000    
 H   -1.036000     -0.3261000       1.209500    
 H    3.227900      0.1287000       1.744100    
 H    1.391900      -1.419000       1.433200    
 H    2.042600      -2.192600     -4.9000001E-03
 H   5.8100000E-02  -1.674600      -1.297700    
 H  -0.4072000      -2.444000      0.2061000    
 H    1.613800       3.190100      0.8528000    
 H    1.914800       2.732400     -0.8281000    
 H  -0.7294000       3.159500     -5.4800000E-02
 H   -1.251600       2.187900       1.319100    
 H    4.085900       2.299100     -0.1669000    
 H    3.670300       2.347900       1.539700    
 H    2.795500      0.8940000      -1.966500    
 H    2.932700     -0.8642000      -1.908400    
 H    1.375900     -0.1118000      -2.199000    
 H   -2.497000       2.258200      -1.474500    
 H   -3.174000       2.929800     -1.7000000E-03
 H   -2.825600      -1.754300       1.251400    
 H   -2.609300      -2.656100     -0.2424000    
 H   -1.821500      0.1418000      -2.507100    
 H   -1.954900      -1.606500      -2.305200    
 H   -3.405700     -0.6162000      -2.415300    
 H   -4.943900      -2.656200      0.5653000    
 H   -4.838500      -1.927200      -1.047700    
 H   -5.012200       1.637300      0.6107000    
 H    4.198600      -2.314600      0.7041000    
 H    5.148400      -1.386800       1.897600    
 H    5.997400      -2.288200     -0.6539000    


%chk=000006166-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006166

0 1
O 5.352881 0.037049 -0.733540
O -6.421956 -0.601645 1.114518
O 6.145832 -2.293221 0.326836
C 1.118599 1.117283 0.338149
C 2.054391 -0.044968 -0.130749
C -0.292669 1.061961 -0.285496
C -0.950732 -0.309686 0.076939
C -2.425614 -0.473114 -0.479630
C 3.364323 0.361542 0.669512
C 1.402489 -1.382662 0.293179
C -0.031535 -1.510532 -0.288251
C 1.980371 2.390166 0.160417
C -1.174821 2.225766 0.219265
C 3.432307 1.918887 0.514361
C -3.244845 0.769449 -0.082254
C 2.332829 -0.025986 -1.656945
C -2.613832 2.124967 -0.340614
C -3.057140 -1.751318 0.158314
C -2.447745 -0.591905 -2.037757
C 4.617015 -0.358858 0.218324
C -4.592891 -1.824527 0.033124
C -4.508835 0.687206 0.445780
C -5.263252 -0.572900 0.596410
C 5.011393 -1.647533 0.945914
H 0.979544 0.970175 1.435383
H -0.205043 1.152782 -1.389044
H -1.051332 -0.305566 1.188019
H 3.175697 0.091039 1.729578
H 1.352114 -1.430528 1.401897
H 2.005032 -2.249682 -0.044241
H 0.035359 -1.614263 -1.387460
H -0.475980 -2.449878 0.088203
H 1.646474 3.216355 0.812154
H 1.926568 2.755740 -0.882526
H -0.733558 3.196664 -0.075039
H -1.207054 2.205425 1.328393
H 4.151626 2.179742 -0.280779
H 3.794935 2.381391 1.449349
H 2.893186 0.872305 -1.965618
H 2.939706 -0.901070 -1.952489
H 1.398479 -0.059895 -2.241636
H -2.569607 2.294770 -1.438053
H -3.253343 2.924289 0.075900
H -2.791038 -1.772312 1.234999
H -2.613249 -2.653842 -0.301143
H -1.947522 0.262811 -2.525878
H -1.941842 -1.515948 -2.369273
H -3.486277 -0.625321 -2.412139
H -4.999957 -2.709741 0.552952
H -4.893215 -1.917674 -1.030793
H -5.045652 1.597858 0.743273
H 4.147414 -2.343085 0.964763
H 5.242746 -1.382663 2.002253
H 6.467330 -1.673204 -0.389608


