%chk=000228858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228858

0 1
O -1.744739 0.450347 1.488400
O -0.600302 -1.962595 -0.686066
O -0.845136 -2.516449 1.494157
C -1.533201 0.787633 0.068854
C -0.603026 -0.159712 0.821189
C -1.091015 2.210387 -0.200326
C -2.562608 0.214642 -0.882638
C 0.761785 0.239128 1.338088
C -2.290407 3.139177 -0.431737
C -3.726951 1.184763 -1.116369
C -3.229546 2.581524 -1.508342
C -0.723041 -1.663085 0.653803
C 1.819508 0.168163 0.231096
C 3.219176 0.472467 0.778905
C 4.276794 0.418842 -0.331501
C -0.670889 -3.368472 -1.085019
C 5.679609 0.720426 0.214508
C -2.112925 -3.830813 -1.084496
C 6.736728 0.669182 -0.886199
H -0.425620 2.215543 -1.087553
H -0.485301 2.593397 0.646681
H -2.955983 -0.747270 -0.492509
H -2.058368 -0.034570 -1.839874
H 0.709418 1.260978 1.769998
H 1.040952 -0.414688 2.193148
H -1.933235 4.145698 -0.718170
H -2.845430 3.266780 0.519955
H -4.338988 1.251545 -0.193710
H -4.394953 0.782599 -1.900606
H -2.707885 2.539334 -2.483286
H -4.089310 3.262881 -1.649866
H 1.805388 -0.835602 -0.241096
H 1.564977 0.878488 -0.579585
H 3.476818 -0.249968 1.578163
H 3.229202 1.469416 1.260454
H 4.269151 -0.578009 -0.813180
H 4.023385 1.140365 -1.131753
H -0.035233 -3.959788 -0.401927
H -0.226594 -3.320587 -2.095670
H 5.690206 1.717668 0.696423
H 5.936487 -0.003394 1.012815
H -2.753210 -3.165062 -1.676185
H -2.521812 -3.852835 -0.062207
H -2.210042 -4.842399 -1.496226
H 7.734256 0.884925 -0.487076
H 6.534227 1.401660 -1.675757
H 6.779982 -0.318561 -1.359110


%chk=000228858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228858

0 1
O -1.799770 0.573683 1.481902
O -0.487165 -2.022869 -0.665045
O -1.169709 -2.402319 1.536800
C -1.550982 0.822304 -0.015274
C -0.657798 -0.107678 0.769277
C -1.120266 2.242498 -0.369343
C -2.664336 0.276194 -0.905630
C 0.741029 0.279547 1.257867
C -2.339817 3.199693 -0.379817
C -3.877204 1.240503 -0.917801
C -3.457338 2.675906 -1.312325
C -0.835072 -1.612938 0.628493
C 1.849823 0.133094 0.188584
C 3.243987 0.513794 0.734660
C 4.368684 0.350920 -0.312024
C -0.553553 -3.495931 -0.935997
C 5.765410 0.737439 0.225635
C -1.972945 -3.912000 -1.332111
C 6.884297 0.565392 -0.824346
H -0.657927 2.224035 -1.378147
H -0.356854 2.610836 0.336987
H -2.978385 -0.722465 -0.553169
H -2.265491 0.151409 -1.932848
H 0.699951 1.323277 1.619347
H 0.983822 -0.344176 2.141230
H -2.016086 4.210667 -0.692993
H -2.732396 3.286405 0.652477
H -4.328777 1.254285 0.093690
H -4.648355 0.858858 -1.613988
H -3.091858 2.677905 -2.360871
H -4.332352 3.352814 -1.276212
H 1.873006 -0.906956 -0.190398
H 1.607519 0.773631 -0.683528
H 3.475150 -0.113613 1.621018
H 3.226403 1.564089 1.094245
H 4.391675 -0.701576 -0.664682
H 4.135506 0.971124 -1.202992
H -0.216155 -4.034295 -0.032670
H 0.165684 -3.638434 -1.758324
H 5.742937 1.790130 0.574578
H 5.995935 0.119966 1.117841
H -2.331954 -3.320038 -2.191841
H -2.669878 -3.780532 -0.487633
H -1.980090 -4.979524 -1.621024
H 7.871710 0.847615 -0.414875
H 6.694122 1.196267 -1.713269
H 6.948164 -0.484842 -1.166855


