%chk=000251634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251634

0 1
O 6.065360 -0.391718 -0.271335
O -5.590033 0.353950 0.683927
O -4.172913 -3.360740 0.021438
C 2.658319 -0.288978 0.048237
C 1.880700 0.944812 0.611293
C 0.591325 1.186762 -0.185635
C -0.315066 -0.066162 -0.001930
C 3.970258 -0.220859 0.895422
C 1.781243 -1.530119 0.294796
C 2.947627 2.048806 0.676315
C 0.420071 -1.364445 -0.402077
C -1.665258 0.106311 -0.775875
C 4.245956 1.298610 1.054823
C -0.133016 2.453279 0.297300
C 3.002344 -0.164783 -1.443142
C -1.466211 2.644674 -0.435522
C -2.316517 1.412032 -0.320290
C 5.133463 -0.959961 0.252275
C -1.478462 0.163879 -2.303792
C -2.545234 -1.094925 -0.494217
C -3.570739 1.468418 0.154301
C -3.795770 -1.023087 -0.012610
C 5.069786 -2.461339 0.326731
C -4.436024 0.283981 0.310130
C -4.612723 -2.248219 0.221646
H 1.583465 0.716003 1.667976
H 0.838001 1.304099 -1.269069
H -0.575385 -0.142466 1.084778
H 3.785435 -0.666562 1.899723
H 1.633693 -1.691103 1.379188
H 2.287012 -2.443430 -0.076684
H 2.695798 2.823315 1.416612
H 3.057473 2.564535 -0.292364
H 0.566986 -1.391673 -1.499919
H -0.212808 -2.241725 -0.159479
H 5.085721 1.609692 0.402359
H 4.555929 1.528418 2.086006
H 0.510621 3.339767 0.137818
H -0.310211 2.403941 1.389818
H 2.120768 0.082280 -2.045452
H 3.744054 0.625579 -1.621136
H 3.421667 -1.093829 -1.842848
H -1.289361 2.875608 -1.507765
H -1.990390 3.535297 -0.030804
H -2.429059 0.365003 -2.814380
H -0.773236 0.953242 -2.591844
H -1.085744 -0.779477 -2.702350
H -2.102153 -2.073923 -0.728284
H -4.036271 2.405389 0.467460
H 5.333449 -2.819279 1.330596
H 4.069533 -2.850896 0.089359
H 5.785501 -2.921865 -0.370469
H -5.637972 -2.068117 0.587744


%chk=000251634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251634

0 1
O 6.032493 -0.593064 -0.372163
O -5.531546 0.276051 1.173108
O -4.238479 -3.428377 -0.189862
C 2.686307 -0.295906 -0.081832
C 1.900831 0.934724 0.482606
C 0.575556 1.209634 -0.261904
C -0.325532 -0.064811 -0.142264
C 3.955769 -0.240473 0.867783
C 1.786600 -1.544773 0.074245
C 2.967937 2.050600 0.572789
C 0.413515 -1.345532 -0.624714
C -1.753210 0.146923 -0.835625
C 4.270737 1.288026 0.990203
C -0.142055 2.458769 0.299382
C 3.123156 -0.113691 -1.559937
C -1.523134 2.680459 -0.374482
C -2.364960 1.428176 -0.261896
C 5.140853 -1.077248 0.378419
C -1.618857 0.281385 -2.395389
C -2.623753 -1.059969 -0.587979
C -3.577796 1.439224 0.375521
C -3.838042 -1.041515 0.047331
C 5.206338 -2.527715 0.842454
C -4.403705 0.235350 0.576704
C -4.628582 -2.298363 0.214957
H 1.623938 0.666393 1.529241
H 0.801529 1.399751 -1.331997
H -0.541289 -0.195248 0.942054
H 3.632982 -0.646731 1.848689
H 1.618203 -1.742923 1.153850
H 2.271049 -2.445483 -0.351622
H 2.697069 2.833162 1.303128
H 3.096338 2.548133 -0.407292
H 0.565853 -1.304738 -1.719880
H -0.205540 -2.238898 -0.424255
H 5.121636 1.540079 0.334173
H 4.569327 1.534770 2.024566
H 0.487919 3.355342 0.149505
H -0.285576 2.340090 1.393141
H 2.266656 0.095908 -2.223039
H 3.852568 0.705211 -1.676468
H 3.612388 -1.032142 -1.932575
H -1.358724 2.941222 -1.440051
H -2.046178 3.535272 0.090252
H -2.595678 0.541365 -2.838779
H -0.893967 1.065230 -2.671795
H -1.284651 -0.669335 -2.845144
H -2.278275 -2.027549 -0.979708
H -3.987899 2.371147 0.783730
H 5.503271 -2.555681 1.909831
H 4.219774 -3.021019 0.774159
H 5.952377 -3.086243 0.255554
H -5.604537 -2.166964 0.732078


