%chk=000256419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256419

0 1
O -5.699639 0.682173 1.023455
O 5.466956 -0.044956 0.046700
C -2.482715 0.446336 -0.316679
C -3.134048 -0.948713 -0.042827
C -1.060620 0.517632 0.252814
C -0.196745 -0.572562 -0.440371
C 1.242923 -0.600089 0.179776
C -2.331053 -1.984097 -0.848907
C -3.534039 1.449599 0.181225
C -4.590644 -0.712673 -0.522362
C -0.857233 -1.969236 -0.409045
C -4.888320 0.766881 -0.169224
C -0.440115 1.905363 0.003219
C 1.807193 0.817037 0.257927
C -3.168652 -1.329875 1.445058
C 2.135562 -1.476071 -0.742674
C 1.043612 1.916431 0.190657
C 1.226085 -1.169494 1.610864
C 3.287122 0.942321 0.501077
C -5.672322 1.509980 -1.248035
C 3.623302 -1.406478 -0.399705
C 4.106435 0.047785 -0.441727
C 6.311667 1.088904 -0.270910
C 7.694813 0.659611 0.188256
H -2.404814 0.575867 -1.427478
H -1.081984 0.325151 1.351604
H -0.090538 -0.274778 -1.513406
H -2.407548 -1.773394 -1.931088
H -2.752138 -2.995901 -0.708701
H -3.457269 1.602550 1.271743
H -3.419670 2.436575 -0.285398
H -4.705908 -0.902809 -1.598574
H -5.310395 -1.375246 -0.009349
H -0.784081 -2.391272 0.614804
H -0.282670 -2.657025 -1.058537
H -0.911460 2.645324 0.680798
H -0.672322 2.251934 -1.026044
H -2.180526 -1.258463 1.910474
H -3.847649 -0.668290 2.002922
H -3.531386 -2.352426 1.583897
H 1.987504 -1.163036 -1.794895
H 1.798628 -2.528885 -0.687945
H 1.476759 2.913141 0.264283
H 2.240094 -1.258382 2.016222
H 0.656524 -0.520897 2.286086
H 0.769436 -2.165045 1.643947
H 3.623880 1.992134 0.410537
H 3.510496 0.656733 1.552600
H -5.880431 2.546890 -0.967156
H -5.126438 1.532050 -2.197502
H -6.638126 1.022080 -1.431471
H 3.822599 -1.832487 0.604118
H 4.218046 -2.020919 -1.101307
H 4.111071 0.451075 -1.475853
H -6.012981 1.556769 1.306372
H 6.269527 1.281394 -1.357052
H 5.941225 1.969987 0.281000
H 8.435137 1.450139 0.033508
H 7.687962 0.395741 1.254775
H 8.027525 -0.237690 -0.350395


%chk=000256419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256419

0 1
O -5.897814 0.762958 0.887724
O 5.595877 -0.059911 -0.043650
C -2.502333 0.417314 -0.235706
C -3.214518 -0.955880 -0.029523
C -1.070442 0.484683 0.330023
C -0.209644 -0.656568 -0.303079
C 1.253980 -0.696883 0.285596
C -2.381003 -2.020670 -0.779691
C -3.555039 1.450677 0.229734
C -4.611315 -0.639146 -0.635606
C -0.919463 -2.042681 -0.256539
C -4.926236 0.841410 -0.241549
C -0.420670 1.856384 0.033766
C 1.840471 0.728217 0.361302
C -3.390079 -1.342458 1.465640
C 2.156534 -1.538763 -0.683721
C 1.079843 1.848996 0.225656
C 1.280659 -1.333691 1.710659
C 3.342444 0.840862 0.605509
C -5.564343 1.639754 -1.394587
C 3.667844 -1.469073 -0.373057
C 4.164146 -0.017821 -0.389148
C 6.316649 1.195660 -0.300154
C 7.807115 0.912456 -0.106039
H -2.400672 0.538085 -1.341313
H -1.102840 0.349955 1.431133
H -0.101226 -0.384729 -1.379343
H -2.385219 -1.787479 -1.865822
H -2.827775 -3.028765 -0.664206
H -3.550753 1.533359 1.333531
H -3.381165 2.458803 -0.190002
H -4.577024 -0.731158 -1.738890
H -5.414333 -1.298242 -0.262500
H -0.925682 -2.423684 0.781119
H -0.338394 -2.773058 -0.851438
H -0.872797 2.636345 0.679640
H -0.661056 2.159908 -1.010691
H -2.435328 -1.353502 2.019593
H -4.082613 -0.651451 1.975621
H -3.828740 -2.356159 1.535093
H 1.987621 -1.174981 -1.719102
H 1.832297 -2.596343 -0.660124
H 1.576678 2.830704 0.264685
H 2.268993 -1.219599 2.188113
H 0.538658 -0.853006 2.373310
H 1.059442 -2.415694 1.669839
H 3.642808 1.903666 0.547349
H 3.604626 0.486139 1.623526
H -5.825304 2.668348 -1.075552
H -4.868224 1.721248 -2.250041
H -6.486604 1.141291 -1.743457
H 3.890725 -1.903944 0.619990
H 4.238208 -2.058545 -1.114696
H 4.048395 0.405770 -1.415588
H -6.130801 1.688377 1.159295
H 6.108127 1.540100 -1.338676
H 5.976878 1.990934 0.398019
H 8.403321 1.827368 -0.278794
H 7.998961 0.557114 0.921323
H 8.145751 0.131400 -0.808404


