%chk=000292527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292527

0 1
O -0.454819 -1.543215 -0.141195
O 1.872401 2.430477 -0.397237
O -0.017009 1.416655 2.133693
O -0.098727 -0.217910 -1.934517
O 2.962197 0.611192 -1.180241
C 0.945484 0.340918 0.213216
C 1.610053 -0.549465 1.291245
C -0.009055 1.360133 0.932307
C 2.486275 -1.669588 0.724245
C -0.861223 2.218726 0.035759
C -2.343043 2.116240 0.415295
C -2.957581 0.786923 -0.039737
C 0.110876 -0.472111 -0.770742
C 2.047626 1.076278 -0.550468
C 3.200607 -2.430372 1.849674
C -4.424591 0.669657 0.391729
C -5.060834 -0.620905 -0.142494
C 4.070109 -3.557752 1.297899
C -6.469831 -0.829371 0.404542
C -1.280767 -2.452871 -0.960139
C 2.872594 3.326756 -0.989217
C -2.281880 -3.026792 0.015895
C 4.101491 3.368589 -0.108347
H 2.194885 0.099922 1.975352
H 0.801969 -0.986882 1.919674
H -0.507703 3.270037 0.143821
H -0.715375 1.988132 -1.041589
H 1.864794 -2.370970 0.132359
H 3.235044 -1.260761 0.012506
H -2.893839 2.962831 -0.039872
H -2.456377 2.235603 1.513442
H -2.876002 0.692648 -1.140874
H -2.376795 -0.060281 0.380243
H 3.826406 -1.732173 2.439889
H 2.456591 -2.844480 2.558363
H -4.494546 0.695877 1.496762
H -5.000241 1.545047 0.034534
H -4.419629 -1.494296 0.124850
H -5.087889 -0.595778 -1.249508
H 4.836818 -3.176738 0.612715
H 4.585957 -4.091063 2.104001
H 3.475512 -4.293248 0.744340
H -6.472042 -0.910681 1.497689
H -6.919813 -1.745574 0.006230
H -7.132554 0.002545 0.138697
H -0.573233 -3.201521 -1.356749
H -1.738761 -1.883421 -1.788856
H 2.309351 4.277543 -1.004687
H 3.089444 2.977226 -2.014716
H -3.142614 -2.349008 0.180033
H -1.820508 -3.194400 1.001542
H -2.675979 -3.988772 -0.332743
H 3.841944 3.566247 0.940365
H 4.644657 2.411621 -0.132557
H 4.800574 4.149569 -0.431426


%chk=000292527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292527

0 1
O -0.413734 -1.738021 -0.150900
O 2.058790 2.368238 -0.076365
O -0.393379 1.207653 2.071772
O -0.303667 -0.300379 -1.973973
O 2.489376 0.733334 -1.682984
C 0.844499 0.309387 0.143603
C 1.629910 -0.475988 1.241058
C -0.214308 1.268294 0.833236
C 2.681140 -1.475871 0.714642
C -1.014970 2.219766 -0.054909
C -2.524521 2.222192 0.303082
C -3.226367 0.885068 -0.027098
C 0.025399 -0.590608 -0.802315
C 1.856914 1.124912 -0.682658
C 3.390730 -2.216809 1.871901
C -4.734522 0.890518 0.305651
C -5.426063 -0.457054 -0.004628
C 4.443997 -3.228834 1.372901
C -6.930504 -0.459005 0.342897
C -1.322399 -2.630752 -0.940689
C 3.132431 3.234169 -0.662367
C -1.780424 -3.735793 0.004193
C 4.493943 2.887131 -0.055547
H 2.108150 0.272446 1.901233
H 0.883583 -1.004762 1.858393
H -0.592577 3.229981 0.113933
H -0.863344 1.976331 -1.121670
H 2.191255 -2.219260 0.055658
H 3.439640 -0.958998 0.094603
H -3.016873 3.044635 -0.252405
H -2.633692 2.443418 1.381882
H -3.086190 0.651424 -1.103228
H -2.738869 0.066604 0.543340
H 3.875752 -1.475588 2.539969
H 2.633567 -2.742045 2.488958
H -4.872619 1.133898 1.379685
H -5.237669 1.699128 -0.265080
H -4.914331 -1.264371 0.559887
H -5.293212 -0.695208 -1.080117
H 5.226554 -2.724893 0.774773
H 4.940851 -3.744984 2.214913
H 3.978683 -3.999981 0.730206
H -7.087680 -0.249186 1.417780
H -7.399294 -1.434348 0.116270
H -7.470592 0.317094 -0.231751
H -0.753784 -3.015115 -1.806436
H -2.160116 -2.018707 -1.320727
H 2.809528 4.254784 -0.402282
H 3.129048 3.098470 -1.758012
H -2.328978 -3.315968 0.864685
H -0.921210 -4.312825 0.386381
H -2.453490 -4.428788 -0.532786
H 4.465195 2.962372 1.045071
H 4.802734 1.866718 -0.338426
H 5.258108 3.593166 -0.430208


