%chk=000179499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179499

0 1
O 2.254073 -0.864024 1.792799
O 0.412958 2.592427 -0.333180
O 0.635305 -0.749590 -1.907855
O -1.089912 -0.617040 -0.428829
O 2.823207 3.013380 -0.542556
O -2.746670 0.495639 -1.618480
O 4.354128 -2.063494 0.718261
O -3.891799 -2.405453 -1.725347
O -3.873322 -1.983172 1.520147
O -4.436397 0.869934 1.675995
O 3.957817 -3.216641 -1.184881
O -3.285821 3.495587 -1.172699
C 0.860491 0.342708 0.390780
C 2.262675 -0.329275 0.463686
C 1.090168 1.848100 0.694595
C 2.630182 2.127996 0.562178
C 3.330462 0.785865 0.367785
C 0.050811 0.113659 -0.876950
C 2.495107 -1.406745 -0.561067
C 0.543175 2.265269 2.049036
C 1.685165 -1.543233 -1.638923
C -2.167319 -0.771544 -1.368526
C -3.124194 -1.788861 -0.700863
C 3.623426 -2.327871 -0.433855
C -4.029810 -1.143577 0.371665
C -3.562856 0.290600 0.713083
C -3.475425 1.160884 -0.553401
C -2.770525 2.500214 -0.286160
C 5.470186 -2.951631 0.996755
H 0.262403 -0.119720 1.241523
H 3.037818 2.715412 1.412380
H 3.867595 0.756309 -0.598844
H 4.115624 0.618396 1.130475
H -0.236325 1.006999 -1.480914
H -0.547565 2.143939 2.093774
H 0.973680 1.661509 2.861556
H 0.750477 3.319069 2.270961
H 3.045967 -1.431971 1.972347
H 0.790503 3.509235 -0.401286
H 1.808751 -2.265260 -2.455857
H -1.799218 -1.079891 -2.372009
H 2.598201 2.568758 -1.392712
H -2.553748 -2.646819 -0.249900
H -5.099809 -1.176143 0.067560
H -2.583066 0.251857 1.259494
H -4.477134 1.341186 -1.011339
H -1.668209 2.421264 -0.394239
H -3.024998 2.897947 0.717714
H -4.440267 -1.746429 -2.208185
H -4.196134 -1.514043 2.327582
H -5.318208 1.073052 1.293981
H 6.042472 -2.396043 1.746318
H 6.052132 -3.128384 0.084565
H 5.075050 -3.892880 1.391355
H -2.978279 3.319442 -2.088887


%chk=000179499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179499

0 1
O 2.982113 -1.231771 1.737263
O -0.099414 1.762275 0.616510
O 0.289962 -1.966343 -1.099127
O -1.393180 -0.921349 0.193370
O 1.948504 2.948113 1.600100
O -2.573010 -0.070693 -1.789580
O 4.974582 -1.360011 -0.166021
O -4.805361 -1.765166 -0.910544
O -3.999030 -0.112559 2.139829
O -4.064423 2.516851 0.605789
O 4.357257 -2.493491 -2.114256
O -2.253177 2.240678 -3.375939
C 0.848849 -0.515098 0.892850
C 2.368146 -0.613468 0.528573
C 0.648963 0.892376 1.559725
C 2.097752 1.482960 1.649552
C 2.839955 0.862995 0.449658
C -0.076391 -0.718529 -0.307642
C 2.641664 -1.487026 -0.685596
C -0.085010 0.832846 2.903617
C 1.626077 -2.141503 -1.341074
C -2.455899 -1.136198 -0.796134
C -3.759636 -1.284236 0.004637
C 4.010505 -1.840106 -1.100240
C -4.174826 0.046585 0.694719
C -3.389840 1.271281 0.182616
C -3.217179 1.224724 -1.346780
C -2.330808 2.337906 -1.914599
C 6.383351 -1.686339 -0.493298
H 0.628663 -1.317107 1.617620
H 2.569658 1.174920 2.599708
H 2.486768 1.333796 -0.487289
H 3.938234 0.941885 0.504693
H -0.034752 0.103898 -1.042760
H -1.104208 0.433977 2.759287
H 0.451099 0.173510 3.610586
H -0.153036 1.842901 3.346563
H 3.946415 -1.356438 1.512067
H 0.258607 2.682915 0.772945
H 1.822466 -2.886280 -2.119311
H -2.230305 -2.033153 -1.396482
H 2.831432 3.388628 1.593511
H -3.652647 -2.058788 0.778162
H -5.254355 0.195414 0.454009
H -2.401299 1.324488 0.666269
H -4.206425 1.255474 -1.855759
H -1.329482 2.278717 -1.443775
H -2.776819 3.322200 -1.700919
H -4.701131 -1.299259 -1.781976
H -4.146813 0.774886 2.559519
H -4.976639 2.540184 0.211635
H 6.976360 -1.225757 0.309795
H 6.650342 -1.266234 -1.476802
H 6.525411 -2.779480 -0.516601
H -1.935040 1.325897 -3.592068


