%chk=000229659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229659

0 1
O 1.009421 1.036799 0.243578
O 0.947374 -1.204321 -0.428014
C 3.141777 -0.156674 -0.048711
C 2.364635 0.938326 0.725309
C 2.298365 -1.455730 0.007830
C 0.263652 -0.189709 0.327376
C -1.036895 0.071864 -0.425336
C 3.329469 0.274990 -1.506406
C 4.497117 -0.396766 0.627222
C -2.268405 -0.157522 0.453814
C -3.562542 0.111970 -0.325752
C -4.802688 -0.115988 0.549886
C -6.093619 0.150459 -0.221073
H 2.345181 0.749729 1.811154
H 2.756055 1.951979 0.530356
H 2.640744 -2.213711 -0.718090
H 2.272030 -1.894273 1.018768
H 0.180380 -0.503992 1.383803
H -1.066431 -0.580664 -1.325644
H -1.019584 1.112294 -0.818282
H 2.344659 0.441937 -1.972456
H 3.895462 1.207137 -1.589354
H 3.848586 -0.485466 -2.096617
H 5.114281 0.509234 0.613399
H 4.393119 -0.706957 1.671921
H 5.067614 -1.176024 0.108368
H -2.270926 -1.197339 0.836242
H -2.223923 0.499477 1.344802
H -3.561747 1.149472 -0.712493
H -3.608629 -0.540754 -1.218951
H -4.805768 -1.154323 0.935577
H -4.759056 0.538546 1.442407
H -6.140525 1.183120 -0.585288
H -6.973503 -0.014866 0.410566
H -6.186779 -0.507956 -1.092311


%chk=000229659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229659

0 1
O 1.047509 1.139196 0.049832
O 0.974799 -1.177575 -0.640985
C 3.189015 -0.161418 -0.045886
C 2.372780 0.950274 0.670162
C 2.298747 -1.434786 -0.041908
C 0.281260 -0.111048 0.089284
C -1.080443 0.127668 -0.567487
C 3.515489 0.262269 -1.497293
C 4.483251 -0.439809 0.751973
C -2.275124 -0.126341 0.377858
C -3.636566 0.115015 -0.310655
C -4.845059 -0.139258 0.618637
C -6.200883 0.099918 -0.080432
H 2.242295 0.686531 1.745686
H 2.875199 1.929469 0.596601
H 2.744846 -2.240813 -0.648515
H 2.165815 -1.796248 1.004471
H 0.205025 -0.427994 1.161143
H -1.150237 -0.533747 -1.450712
H -1.101038 1.171042 -0.932597
H 2.588283 0.455823 -2.062220
H 4.128454 1.183512 -1.508740
H 4.082842 -0.531419 -2.019412
H 5.124547 0.461051 0.787735
H 4.265780 -0.744365 1.794263
H 5.070480 -1.248227 0.277008
H -2.236356 -1.170264 0.752377
H -2.193449 0.533390 1.266409
H -3.677511 1.158711 -0.687283
H -3.716776 -0.540487 -1.203228
H -4.801024 -1.181444 0.996347
H -4.765045 0.517773 1.508909
H -6.282290 1.143357 -0.440024
H -7.049190 -0.089551 0.603046
H -6.316525 -0.565908 -0.956763


