%chk=000251868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251868

0 1
O 4.651579 1.536209 -0.688296
O -6.258776 1.013697 -0.548437
O 5.326585 -0.105184 0.708514
C 1.060809 -1.160823 -0.387667
C 1.977608 0.045809 -0.010770
C -0.304267 -1.048896 0.304101
C -0.988005 0.259230 -0.189942
C -2.361218 0.447263 0.530919
C 1.335746 1.314125 -0.596459
C 3.317251 -0.391622 -0.695995
C -0.077195 1.495487 -0.018712
C 1.944055 -2.390463 -0.120010
C 3.370208 -1.931202 -0.505931
C -1.179616 -2.278757 -0.004109
C -3.189367 -0.821671 0.345856
C 2.199145 0.202742 1.499606
C -3.128134 1.660855 -0.066016
C -2.647508 -2.029095 0.144402
C -2.172529 0.668715 2.045130
C -4.678425 -0.614922 0.364349
C -4.024907 1.277093 -1.245516
C 4.526920 0.286147 -0.108434
C -5.082112 0.232437 -0.857868
C 5.756945 2.361650 -0.239074
H 0.875736 -1.122766 -1.493108
H -0.163108 -0.984846 1.410629
H -1.201284 0.140731 -1.280814
H 1.291962 1.254334 -1.699547
H 1.958105 2.201472 -0.374095
H 3.269678 -0.143422 -1.784292
H 0.000043 1.757310 1.055582
H -0.561603 2.367330 -0.503995
H 1.624275 -3.263066 -0.709234
H 1.899431 -2.695203 0.939123
H 4.097158 -2.205759 0.282074
H 3.713175 -2.421854 -1.430405
H -0.871244 -3.118770 0.650859
H -0.994152 -2.628808 -1.042828
H 1.247385 0.235511 2.043805
H 2.779367 -0.629742 1.916487
H 2.739558 1.126216 1.733739
H -2.416212 2.449126 -0.377102
H -3.759319 2.126619 0.717873
H -3.265329 -2.919870 0.038729
H -1.603611 1.581845 2.249032
H -3.134579 0.753915 2.561019
H -1.632223 -0.169271 2.502097
H -5.229252 -1.571842 0.377946
H -4.973419 -0.083622 1.294465
H -4.548197 2.180467 -1.626011
H -3.414231 0.890621 -2.082669
H -5.338222 -0.417288 -1.723542
H -6.984609 0.447112 -0.236991
H 6.681378 1.774718 -0.206187
H 5.517930 2.760018 0.751112
H 5.798619 3.148759 -0.998395


%chk=000251868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251868

0 1
O 4.714663 1.552662 -0.895800
O -6.357323 1.014613 -0.673060
O 5.417223 -0.070531 0.615593
C 1.084964 -1.134769 -0.300521
C 2.025360 0.047003 0.095677
C -0.320537 -1.047394 0.328963
C -0.990039 0.309622 -0.075472
C -2.417556 0.469985 0.568498
C 1.370230 1.358289 -0.396626
C 3.326111 -0.397136 -0.682432
C -0.049613 1.517474 0.208482
C 1.948853 -2.397617 -0.067518
C 3.393605 -1.947669 -0.476141
C -1.187475 -2.255098 -0.104768
C -3.234410 -0.818834 0.348600
C 2.316318 0.108861 1.619482
C -3.219997 1.650015 -0.102994
C -2.672484 -2.023614 0.063972
C -2.329990 0.751592 2.100191
C -4.738586 -0.614766 0.344230
C -4.030165 1.184267 -1.330859
C 4.584731 0.319234 -0.236685
C -5.147296 0.197933 -0.924080
C 5.890046 2.366127 -0.501479
H 0.935193 -1.044880 -1.402930
H -0.224602 -1.079067 1.433777
H -1.144267 0.263512 -1.179226
H 1.300897 1.334694 -1.504365
H 1.992298 2.235873 -0.135091
H 3.164577 -0.150526 -1.748943
H 0.042939 1.669115 1.300179
H -0.500596 2.444909 -0.192476
H 1.600663 -3.260975 -0.661473
H 1.915268 -2.700554 0.996396
H 4.134082 -2.189936 0.305615
H 3.726062 -2.444488 -1.404906
H -0.874605 -3.159411 0.455711
H -0.984811 -2.488823 -1.174834
H 1.389563 0.186460 2.212063
H 2.869438 -0.778413 1.972061
H 2.935469 0.993826 1.856903
H -2.530939 2.467148 -0.383651
H -3.925064 2.082227 0.633878
H -3.330110 -2.891073 -0.100226
H -1.945898 1.769086 2.299478
H -3.332282 0.683827 2.562358
H -1.678008 0.024973 2.616289
H -5.274795 -1.581739 0.379647
H -5.054909 -0.021590 1.225727
H -4.503995 2.040337 -1.844340
H -3.359250 0.690893 -2.060260
H -5.348629 -0.504642 -1.760906
H -7.084906 0.419924 -0.357229
H 6.823326 1.822056 -0.724594
H 5.857296 2.592842 0.577733
H 5.811961 3.282964 -1.102622


