%chk=000229030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229030

0 1
O 0.360794 -1.176343 -0.743246
O 0.210852 1.220199 0.721383
O -1.866846 -1.213490 -0.974711
O 2.001098 -1.347934 0.881437
O -2.000514 0.967375 0.972867
O 1.800249 1.602751 -0.917859
C -0.874942 -0.827678 -0.054546
C 1.575971 -0.628403 -0.271282
C -0.975164 0.713344 0.043595
C 1.482694 0.834713 0.238210
C -2.016073 -2.659993 -1.193690
C 2.248938 -2.777960 0.693134
C -2.334680 2.382299 1.194019
C 1.861609 3.052980 -0.730965
C -2.710649 -3.278864 0.012605
C -2.854735 -2.701038 -2.463469
C 3.594784 -2.964326 0.002184
C 2.224712 -3.308016 2.120721
C -3.114661 2.904841 -0.005630
C -3.160124 2.314639 2.471298
C 3.177894 3.413274 -0.051975
C 1.755861 3.574523 -2.157976
H -0.912649 -1.361500 0.910126
H 2.263288 -0.760072 -1.135059
H -1.090654 1.237179 -0.920371
H 2.154770 1.055179 1.095858
H -1.000030 -3.082534 -1.352340
H 1.413485 -3.188394 0.083170
H -1.380857 2.933520 1.343790
H 0.985348 3.351596 -0.113317
H -3.557564 -2.657185 0.335839
H -2.037505 -3.375402 0.870929
H -3.102467 -4.275626 -0.214989
H -3.830767 -2.221547 -2.312987
H -2.356328 -2.149219 -3.272754
H -3.025196 -3.727457 -2.800766
H 4.367211 -2.341848 0.472361
H 3.552818 -2.685363 -1.056241
H 3.932909 -4.004621 0.055443
H 3.027215 -2.864228 2.724430
H 1.281629 -3.043819 2.617425
H 2.338383 -4.395519 2.148740
H -3.630767 3.842290 0.226057
H -2.467527 3.087632 -0.869902
H -3.876366 2.178076 -0.321616
H -3.459624 3.310358 2.810714
H -2.586924 1.832818 3.275752
H -4.066797 1.712166 2.329300
H 3.377303 4.488688 -0.107651
H 3.182050 3.131844 1.006621
H 4.020509 2.896312 -0.529405
H 1.726850 4.667555 -2.186394
H 0.850748 3.189598 -2.646367
H 2.603836 3.238531 -2.769098


%chk=000229030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229030

0 1
O 0.445337 -1.051496 -0.940506
O 0.310689 1.095970 0.919116
O -1.889928 -1.214207 -0.964985
O 1.990988 -1.441986 0.881269
O -2.026885 0.958062 0.950604
O 1.779789 1.687617 -0.911728
C -0.807710 -0.808663 -0.146006
C 1.671209 -0.620582 -0.274511
C -0.903758 0.694680 0.128570
C 1.577976 0.830236 0.244785
C -2.132121 -2.692182 -0.996585
C 2.375626 -2.846200 0.541745
C -2.442970 2.396345 0.999623
C 1.968429 3.131830 -0.574153
C -2.941299 -3.112603 0.242980
C -2.866772 -2.950887 -2.314947
C 3.857554 -2.902641 0.127975
C 2.074740 -3.668079 1.799436
C -3.288933 2.737587 -0.239697
C -3.209510 2.547786 2.316294
C 3.434167 3.395887 -0.184951
C 1.532751 3.904818 -1.823495
H -0.730099 -1.366748 0.809910
H 2.441644 -0.690897 -1.064445
H -0.899648 1.258059 -0.827207
H 2.337763 0.999176 1.030120
H -1.144709 -3.197576 -1.008503
H 1.731560 -3.182051 -0.296943
H -1.521743 3.013905 1.025498
H 1.297910 3.372977 0.276241
H -3.912894 -2.588571 0.255326
H -2.409028 -2.868240 1.179872
H -3.126001 -4.202997 0.230487
H -3.814747 -2.384477 -2.338147
H -2.247956 -2.627479 -3.168599
H -3.097051 -4.026155 -2.426437
H 4.499443 -2.567362 0.961992
H 4.060816 -2.259751 -0.747628
H 4.143003 -3.936556 -0.141392
H 2.657139 -3.282187 2.655007
H 1.003502 -3.606040 2.058066
H 2.341115 -4.729408 1.643710
H -3.600847 3.798348 -0.211939
H -2.726139 2.573211 -1.176271
H -4.192297 2.103561 -0.268076
H -3.567858 3.586071 2.439410
H -2.560215 2.290175 3.169699
H -4.082918 1.871546 2.327506
H 3.576924 4.460353 0.078939
H 3.739201 2.790638 0.687954
H 4.103354 3.150963 -1.028844
H 1.652861 4.992663 -1.669054
H 0.475613 3.695602 -2.062414
H 2.146333 3.603857 -2.691273


