%chk=000183177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183177

0 1
O -1.038003 -0.892093 0.008079
O -3.824459 -0.046864 -0.998964
O -1.849634 2.010978 1.261948
O -3.867336 -2.693042 1.185692
O -3.288856 3.753350 0.262538
O -4.779640 -2.394579 -1.263573
C -2.313740 -0.948405 0.665638
C -3.185617 0.269647 0.261757
C 2.548871 -0.090350 0.650092
C 1.266106 -0.501437 -0.080304
C -2.347361 1.544547 0.007277
C 3.748376 -0.063851 -0.306782
C 0.077724 -0.531394 0.878227
C -2.919075 -2.293681 0.197252
C 5.035039 0.349746 0.420204
C 6.234536 0.376283 -0.536375
C -3.167177 2.668357 -0.666226
C 7.522884 0.790063 0.188853
C -3.582609 -2.178777 -1.183869
C 8.720112 0.818037 -0.758636
H -2.199695 -0.962285 1.775180
H -3.962905 0.444912 1.036025
H 2.750805 -0.789618 1.484985
H 2.417071 0.906803 1.114586
H 1.385926 -1.495961 -0.555112
H 1.050720 0.194642 -0.915708
H -1.423733 1.290590 -0.568828
H 3.548319 0.633388 -1.143375
H 3.882457 -1.060144 -0.771218
H -0.131824 0.453292 1.337594
H 0.177098 -1.303790 1.658290
H -2.127032 -3.081031 0.199872
H 5.236478 -0.347645 1.256213
H 4.902223 1.346095 0.884353
H 6.035773 1.072985 -1.373299
H 6.369863 -0.619307 -1.001084
H -2.701772 3.015762 -1.603264
H -4.215367 2.384202 -0.873195
H 7.390312 1.787156 0.652579
H 7.724826 0.092340 1.025086
H -4.810220 -0.044471 -0.900125
H -2.929991 -1.968292 -2.037571
H -2.557420 2.519824 1.744387
H -4.782230 -2.733425 0.781502
H 8.903575 -0.165133 -1.206795
H 9.634588 1.114087 -0.232539
H 8.569377 1.528588 -1.579266
H -2.421567 4.215003 0.350996


%chk=000183177-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183177

0 1
O -1.080766 -0.726574 -0.066617
O -3.914461 0.031083 -1.095840
O -1.873903 2.149993 1.197135
O -4.304620 -2.149080 1.065023
O -4.307691 3.182890 0.715469
O -4.117397 -3.083315 -1.444316
C -2.346029 -0.707647 0.679864
C -3.300805 0.412058 0.194930
C 2.636672 -0.067547 0.556700
C 1.321283 -0.386142 -0.191467
C -2.559517 1.744452 -0.041643
C 3.870014 -0.060608 -0.374304
C 0.109244 -0.368849 0.742670
C -2.982346 -2.096260 0.450938
C 5.190396 0.247343 0.367216
C 6.425162 0.260032 -0.561994
C -3.504407 2.864057 -0.489852
C 7.746377 0.564188 0.181009
C -3.094080 -2.464953 -1.033071
C 8.974695 0.576480 -0.754591
H -2.153315 -0.559776 1.759837
H -4.090421 0.549985 0.958708
H 2.794152 -0.812615 1.364635
H 2.549388 0.920015 1.055530
H 1.393180 -1.380793 -0.673899
H 1.160290 0.352273 -1.000976
H -1.775059 1.580680 -0.798178
H 3.717135 0.688747 -1.178668
H 3.954049 -1.045588 -0.879250
H -0.044599 0.630548 1.194008
H 0.233693 -1.116084 1.557780
H -2.304795 -2.852781 0.909958
H 5.344047 -0.504323 1.169834
H 5.104417 1.230708 0.875464
H 6.274800 1.013742 -1.363245
H 6.511632 -0.722102 -1.072614
H -2.912582 3.747152 -0.802781
H -4.144045 2.511352 -1.319310
H 7.658770 1.544820 0.692145
H 7.895708 -0.190161 0.980488
H -4.741418 -0.482132 -0.906245
H -2.220877 -2.242599 -1.676011
H -2.557143 2.645328 1.727537
H -4.842879 -2.778130 0.500856
H 9.102077 -0.402911 -1.253536
H 9.905767 0.797093 -0.200607
H 8.861997 1.342163 -1.545432
H -4.855996 3.988887 0.559806


