%chk=000245450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245450

0 1
O -0.694863 0.121929 -1.032503
O -0.019049 1.160489 0.934507
O 0.636591 -2.953207 -0.468706
O 3.350993 0.481357 0.451215
O -1.014867 -2.137897 0.850898
O 2.209249 2.073942 -0.685906
C -1.066467 1.188869 -0.095052
C 0.405165 -0.628855 -0.531703
C 1.027234 0.271654 0.563680
C -2.358195 0.828564 0.623417
C -0.989076 2.485217 -0.860492
C -3.580195 0.900085 -0.298226
C -0.126544 -1.941984 0.063732
C 2.200965 1.091780 0.007807
C -4.842191 0.422212 0.414619
C 0.306892 -4.311655 -0.068640
C 4.613480 1.088491 0.062444
H 1.057483 -0.827691 -1.414773
H 1.319735 -0.252814 1.503979
H -2.485621 1.489397 1.503964
H -2.259256 -0.202264 1.042231
H 0.065016 2.767246 -1.046914
H -1.474424 2.400331 -1.841893
H -1.454256 3.312682 -0.312572
H -3.397113 0.277263 -1.198714
H -3.724543 1.935900 -0.662479
H -5.713207 0.471156 -0.248453
H -4.744888 -0.617641 0.750917
H -5.065386 1.030857 1.298110
H -0.650048 -4.591166 -0.520444
H 0.258434 -4.381371 1.022807
H 1.140011 -4.890534 -0.481684
H 4.659856 1.187936 -1.026607
H 5.348926 0.370939 0.442148
H 4.705458 2.065382 0.547585


%chk=000245450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245450

0 1
O -0.721243 0.240069 -1.089514
O -0.045849 1.119725 1.012060
O 0.812246 -2.934899 -0.390220
O 3.400622 0.350636 0.437157
O -1.198546 -2.199944 0.534435
O 2.241015 2.053554 -0.654750
C -1.101519 1.249831 -0.047140
C 0.356319 -0.601984 -0.599414
C 1.017149 0.240061 0.553063
C -2.438825 0.884805 0.614739
C -1.037914 2.627572 -0.703879
C -3.648354 0.933985 -0.346469
C -0.138930 -1.961928 -0.080605
C 2.240515 1.012819 0.034734
C -4.932819 0.411296 0.331553
C 0.510104 -4.309075 0.085062
C 4.678414 0.946869 -0.029376
H 1.054149 -0.785748 -1.432620
H 1.336511 -0.386741 1.401312
H -2.594967 1.582761 1.460731
H -2.340048 -0.132761 1.032815
H -0.004768 2.842442 -1.018524
H -1.698201 2.655192 -1.587022
H -1.369477 3.400457 0.011097
H -3.420678 0.318232 -1.237772
H -3.815025 1.969538 -0.702873
H -5.796855 0.453897 -0.356814
H -4.805789 -0.638738 0.654270
H -5.184375 1.010008 1.227828
H -0.398875 -4.686321 -0.412268
H 0.354890 -4.310288 1.176861
H 1.391403 -4.902382 -0.194120
H 4.695165 0.998830 -1.130877
H 5.457751 0.272304 0.350335
H 4.792105 1.962527 0.384506


