%chk=000228862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228862

0 1
O 3.773161 -0.564629 -1.751673
O 2.599978 1.610013 0.767750
O 3.633085 2.396373 -1.084875
C 3.358923 -1.127483 -0.459963
C 2.695713 0.115589 -1.038214
C 2.663490 -2.471312 -0.512425
C 4.361917 -1.002388 0.668079
C 1.334892 0.099753 -1.698038
C 1.934560 -2.706953 0.818118
C 3.629482 -1.222941 1.999514
C 2.887941 -2.568005 2.014018
C 3.072159 1.491311 -0.523389
C 0.221824 0.095987 -0.643263
C -1.165761 0.078208 -1.292285
C -2.276940 0.069065 -0.233674
C 2.850241 2.865821 1.474708
C -3.667853 0.052160 -0.881905
C -4.779459 0.041771 0.176140
C 4.278714 2.892591 1.977445
C -6.170469 0.025824 -0.472072
C -7.282058 0.014683 0.585677
C -8.674119 -0.001016 -0.061570
C -9.784619 -0.012371 0.986640
H 1.958132 -2.529059 -1.363858
H 3.414054 -3.266633 -0.696611
H 5.169284 -1.749477 0.531090
H 4.867427 -0.017402 0.657434
H 1.256443 -0.789064 -2.359576
H 1.231949 0.971004 -2.378834
H 1.101154 -1.970934 0.906882
H 1.465788 -3.707877 0.819551
H 4.348199 -1.176092 2.837530
H 2.911197 -0.389298 2.156692
H 2.321254 -2.672320 2.958262
H 3.620874 -3.397879 2.003904
H 0.328747 0.982047 0.016640
H 0.346402 -0.784426 0.029437
H -1.284829 0.958775 -1.953680
H -1.265787 -0.806778 -1.950158
H -2.160073 -0.810172 0.428668
H -2.178860 0.955626 0.422469
H 2.102112 2.801987 2.285351
H 2.623507 3.705781 0.793866
H -3.786070 0.932722 -1.542670
H -3.766574 -0.832775 -1.539782
H -4.681613 0.926963 0.833839
H -4.662614 -0.838745 0.836867
H 4.455319 3.747951 2.640153
H 4.991616 2.972111 1.142279
H 4.528898 1.979712 2.532417
H -6.268794 -0.858695 -1.130533
H -6.288085 0.906900 -1.132084
H -7.185528 0.898791 1.244699
H -7.166358 -0.865768 1.246441
H -8.773009 -0.886133 -0.720032
H -8.792279 0.880861 -0.721248
H -9.720154 -0.894577 1.633572
H -9.738670 0.871452 1.632990
H -10.773762 -0.022831 0.515392


%chk=000228862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228862

0 1
O 3.772881 -0.459904 -1.802369
O 2.696536 1.534602 0.984587
O 3.266655 2.470685 -1.076739
C 3.458019 -1.108100 -0.451898
C 2.659574 0.083545 -0.939518
C 2.901598 -2.527386 -0.514785
C 4.571731 -0.950844 0.580887
C 1.262519 -0.014670 -1.558187
C 2.433092 -3.003258 0.887199
C 4.108120 -1.421240 1.983976
C 3.560999 -2.867938 1.937257
C 2.941180 1.476786 -0.393341
C 0.101803 0.087020 -0.539902
C -1.283308 -0.000942 -1.218480
C -2.452750 0.118319 -0.215814
C 2.869619 2.876930 1.631498
C -3.844673 0.020471 -0.879467
C -5.009492 0.151590 0.127703
C 4.334688 3.116253 2.005945
C -6.404873 0.044236 -0.527578
C -7.566478 0.179580 0.482897
C -8.963687 0.067061 -0.168745
C -10.116457 0.201675 0.849914
H 2.080766 -2.606749 -1.247449
H 3.713859 -3.191764 -0.873245
H 5.426626 -1.572486 0.244968
H 4.927757 0.093238 0.616090
H 1.194042 -0.966439 -2.115240
H 1.172004 0.793223 -2.311448
H 1.561124 -2.398640 1.208923
H 2.089374 -4.053370 0.822914
H 4.955052 -1.354758 2.693762
H 3.320265 -0.734294 2.349197
H 3.188547 -3.167171 2.935875
H 4.385474 -3.564845 1.679485
H 0.173278 1.039125 0.021903
H 0.195097 -0.722068 0.212250
H -1.369953 0.800749 -1.981338
H -1.366062 -0.962429 -1.767255
H -2.358116 -0.676061 0.554065
H -2.372443 1.084811 0.324674
H 2.217275 2.820219 2.517506
H 2.503173 3.650267 0.933514
H -3.938752 0.810364 -1.653799
H -3.929421 -0.949249 -1.413424
H -4.927498 1.124505 0.656474
H -4.909966 -0.633581 0.906450
H 4.424821 4.068220 2.561577
H 4.963789 3.185548 1.102898
H 4.715770 2.304772 2.650171
H -6.488989 -0.930112 -1.053345
H -6.505098 0.827455 -1.308081
H -7.485534 1.155393 1.006576
H -7.465054 -0.601402 1.265643
H -9.043692 -0.907641 -0.692308
H -9.065115 0.847989 -0.949964
H -10.054757 -0.587165 1.623412
H -10.076865 1.179759 1.365885
H -11.103974 0.117918 0.359745


