%chk=000225729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225729

0 1
O -4.954405 -1.562889 0.474665
O -5.561181 1.232535 0.104856
O 5.729206 0.277433 0.441471
C -2.647372 -0.834588 0.096992
C -2.090522 0.532615 -0.440526
C -0.636280 0.714854 0.005938
C 0.199317 -0.411077 -0.674373
C -1.861077 -1.958170 -0.593367
C -4.144808 -0.704349 -0.321832
C -0.356520 -1.806469 -0.306463
C -3.149081 1.568836 -0.029894
C -0.058117 2.079314 -0.393561
C -4.453129 0.794051 -0.061731
C -2.576234 -0.984213 1.620066
C 1.669942 -0.261683 -0.347512
C 1.358247 2.227764 0.171526
C 2.208918 0.994799 0.018475
C 2.532732 -1.357968 -0.467724
C 3.576895 1.122960 0.274133
C 3.903828 -1.253125 -0.216519
C 4.409629 -0.003945 0.156444
C 6.684330 -0.806441 0.353056
H -2.091267 0.494883 -1.561577
H -0.562302 0.607511 1.114469
H 0.105812 -0.288559 -1.786228
H -2.044875 -1.953794 -1.683166
H -2.215544 -2.944171 -0.234702
H -4.317644 -0.964211 -1.387554
H -0.161429 -2.006938 0.766400
H 0.196460 -2.586037 -0.865763
H -3.176061 2.445660 -0.698883
H -2.969897 1.976660 0.983408
H -0.698971 2.898532 -0.018820
H -0.041671 2.185772 -1.495104
H -3.180984 -1.847496 1.939839
H -1.551751 -1.146313 1.972067
H -2.975223 -0.111328 2.144947
H 1.305273 2.482230 1.253110
H 1.859210 3.093186 -0.310892
H -5.868690 -1.192416 0.537319
H 2.134734 -2.329542 -0.768773
H 4.016339 2.075095 0.561717
H 4.541456 -2.123066 -0.314596
H 6.730256 -1.190110 -0.670033
H 6.436338 -1.591492 1.072958
H 7.620913 -0.303502 0.626838


%chk=000225729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225729

0 1
O -5.138045 -1.615772 0.131789
O -5.623981 1.158214 0.325274
O 5.861058 0.322055 0.375566
C -2.697767 -0.845965 0.104034
C -2.111125 0.523405 -0.405895
C -0.644901 0.713425 0.014940
C 0.199047 -0.441836 -0.612258
C -1.884308 -1.987368 -0.544472
C -4.163774 -0.687357 -0.398314
C -0.367692 -1.844982 -0.242046
C -3.172902 1.579570 -0.004275
C -0.049111 2.070504 -0.416636
C -4.476553 0.775676 -0.014493
C -2.714096 -0.987878 1.648021
C 1.697318 -0.270725 -0.308608
C 1.358970 2.246439 0.185171
C 2.241311 1.009310 0.026087
C 2.593572 -1.362513 -0.407797
C 3.628580 1.147888 0.242519
C 3.982849 -1.230745 -0.189922
C 4.503241 0.043319 0.138428
C 6.804040 -0.792550 0.272341
H -2.117573 0.467171 -1.519134
H -0.575974 0.650368 1.122275
H 0.072737 -0.334637 -1.716276
H -2.041097 -1.964195 -1.643805
H -2.246677 -2.971123 -0.190228
H -4.158999 -0.753181 -1.513374
H -0.166026 -2.048624 0.827620
H 0.167996 -2.627837 -0.810967
H -3.236499 2.449120 -0.682395
H -3.015306 1.983458 1.015077
H -0.698646 2.904713 -0.088260
H -0.000288 2.111205 -1.524426
H -3.287279 -1.891826 1.916709
H -1.698785 -1.083859 2.066777
H -3.202816 -0.131819 2.149801
H 1.259243 2.471804 1.267759
H 1.865392 3.122310 -0.263509
H -5.939276 -1.086872 0.401526
H 2.209509 -2.355014 -0.665283
H 4.056661 2.124484 0.495844
H 4.630841 -2.107670 -0.279828
H 6.807475 -1.226441 -0.746960
H 6.574521 -1.585954 1.010564
H 7.789935 -0.356895 0.492141


