%chk=000249301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249301

0 1
O -0.329157 2.346788 -0.071594
O 0.324534 -2.331398 -0.111691
O 0.881295 1.284077 1.510353
O -0.877388 -1.294824 1.493930
C -0.003192 0.010293 -0.408814
C -1.260116 0.169882 -1.300373
C 1.248857 -0.134573 -1.309689
C -2.555011 0.404835 -0.512492
C 2.548012 -0.382323 -0.532813
C 0.235300 1.229282 0.491748
C -0.236876 -1.223310 0.472902
C -3.773134 0.414403 -1.444108
C 3.761014 -0.376759 -1.471124
C -5.070985 0.657895 -0.660574
C 5.063074 -0.633159 -0.698771
C -6.291336 0.667302 -1.578305
C 6.278390 -0.627640 -1.623191
C -0.185332 3.616534 0.646839
C 0.184557 -3.612750 0.586608
C -1.155216 3.661118 1.807927
C 1.160348 -3.676155 1.741854
H -1.096026 1.026292 -1.988813
H -1.360588 -0.729352 -1.940779
H 1.345879 0.775048 -1.935791
H 1.081011 -0.979592 -2.011181
H -2.485549 1.370426 0.031230
H -2.684814 -0.368317 0.272493
H 2.682189 0.377960 0.263905
H 2.481433 -1.356628 -0.004489
H -3.652321 1.195533 -2.219224
H -3.842212 -0.545860 -1.990475
H 3.635824 -1.145101 -2.258229
H 3.827273 0.592312 -2.002060
H -5.193040 -0.122377 0.116651
H -5.006170 1.619178 -0.114203
H 5.001075 -1.603255 -0.167873
H 5.189507 0.134275 0.090442
H -7.211860 0.841761 -1.009902
H -6.220386 1.454542 -2.337267
H -6.407874 -0.286556 -2.105143
H 6.392216 0.334709 -2.134965
H 7.201976 -0.811468 -1.062763
H 6.203153 -1.402335 -2.394547
H -0.429858 4.333688 -0.157616
H 0.866740 3.722214 0.966246
H 0.425075 -4.316595 -0.230714
H -0.865862 -3.723854 0.909587
H -1.153268 4.642499 2.296356
H -0.892703 2.912735 2.572909
H -2.182885 3.446714 1.488294
H 1.161268 -4.665519 2.213910
H 0.901462 -2.940707 2.520489
H 2.186296 -3.455988 1.420602


%chk=000249301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249301

0 1
O -0.298936 2.424189 0.037037
O 0.257149 -2.362851 -0.010087
O 0.839753 1.284930 1.715770
O -0.774844 -1.222330 1.735992
C 0.005154 0.034780 -0.265158
C -1.263736 0.144845 -1.185027
C 1.269810 -0.075138 -1.191569
C -2.627589 0.262228 -0.471082
C 2.634504 -0.224041 -0.485262
C 0.209116 1.266444 0.636910
C -0.192117 -1.202622 0.630729
C -3.789702 0.404130 -1.480961
C 3.787856 -0.383963 -1.502560
C -5.173791 0.505587 -0.800564
C 5.173153 -0.519239 -0.830543
C -6.332364 0.647688 -1.811414
C 6.321975 -0.685574 -1.848873
C -0.087682 3.701910 0.787321
C 0.036123 -3.649294 0.721745
C -1.178672 3.895057 1.844385
C 1.173517 -3.910766 1.712914
H -1.118694 1.029542 -1.832384
H -1.265586 -0.747542 -1.842723
H 1.281213 0.826854 -1.836236
H 1.109907 -0.947600 -1.851924
H -2.618473 1.142640 0.200045
H -2.807704 -0.621396 0.171190
H 2.835353 0.650570 0.162593
H 2.611262 -1.108827 0.180091
H -3.624638 1.304294 -2.109687
H -3.786975 -0.464135 -2.173718
H 3.600175 -1.276499 -2.135817
H 3.799884 0.488443 -2.189999
H -5.336977 -0.393576 -0.172252
H -5.175526 1.371472 -0.107485
H 5.158877 -1.387014 -0.139947
H 5.360806 0.373968 -0.200651
H -7.310771 0.714322 -1.300906
H -6.210616 1.557671 -2.429111
H -6.367206 -0.219856 -2.497375
H 6.372973 0.182758 -2.532804
H 7.301638 -0.776534 -1.344563
H 6.174907 -1.590806 -2.468019
H -0.127690 4.472227 0.000481
H 0.915330 3.675834 1.248774
H 0.003298 -4.401187 -0.083160
H -0.938873 -3.596108 1.237625
H -1.048669 4.875421 2.339418
H -1.117209 3.108251 2.614212
H -2.182228 3.870605 1.385132
H 1.035200 -4.900788 2.186073
H 1.181215 -3.146653 2.507768
H 2.151721 -3.906422 1.201360


