%chk=000281621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281621

0 1
O 4.303165 -1.012638 -0.190221
O -2.896334 2.236082 0.770960
O -2.156346 -1.898867 1.405584
O 3.212911 0.860852 -1.094321
O -2.525342 0.722207 -0.971644
O -0.420944 -2.846144 0.122649
N -0.494349 -0.546189 0.561891
C 5.667535 -0.704542 -0.818266
C -4.023480 3.011046 0.076037
C 0.677815 -0.303135 -0.306849
C 2.004297 -0.697251 0.383159
C -1.223179 0.587436 1.124270
C 5.532200 -0.719144 -2.353649
C 6.519784 -1.880797 -0.313272
C 6.182718 0.643780 -0.277354
C -5.201112 2.051704 -0.183894
C -4.375193 4.073415 1.130191
C -3.476905 3.647829 -1.216444
C 3.209921 -0.180864 -0.391257
C -2.279193 1.159299 0.158107
C -0.974615 -1.840313 0.642100
C -2.776869 -3.250332 1.508805
C -3.656026 -3.543074 0.290038
H 0.559578 -0.880491 -1.239753
H 0.700895 0.766027 -0.575736
H 2.071706 -1.789720 0.507260
H 2.041140 -0.249093 1.396603
H -1.739885 0.288149 2.050218
H -0.518245 1.397353 1.384986
H 4.913630 0.120412 -2.706870
H 6.535860 -0.637528 -2.809951
H 5.077789 -1.667386 -2.691352
H 6.101104 -2.840929 -0.660455
H 6.549964 -1.893632 0.789853
H 7.552853 -1.787387 -0.693725
H 6.205233 0.634406 0.826951
H 7.213359 0.811882 -0.640139
H 5.549183 1.477320 -0.618394
H -5.510252 1.556355 0.753472
H -6.062638 2.627048 -0.569460
H -4.930924 1.282973 -0.924583
H -3.499038 4.706689 1.352192
H -4.706983 3.596467 2.068418
H -5.189850 4.719043 0.756085
H -3.206307 2.878071 -1.955978
H -2.588387 4.266781 -0.999241
H -4.251661 4.302583 -1.655782
H -3.363847 -3.193835 2.440231
H -1.972309 -3.999981 1.610308
H -4.177276 -4.509128 0.427653
H -4.415761 -2.753974 0.153717
H -3.041690 -3.607433 -0.623248


%chk=000281621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281621

0 1
O 4.303046 -1.006070 -0.184265
O -2.895239 2.234535 0.773384
O -2.158251 -1.904988 1.399191
O 3.207714 0.850618 -1.116826
O -2.526367 0.721505 -0.990287
O -0.421662 -2.852354 0.116403
N -0.496922 -0.551349 0.554712
C 5.667199 -0.702757 -0.815089
C -4.020880 3.015549 0.083008
C 0.674984 -0.307987 -0.314143
C 2.002210 -0.690691 0.380882
C -1.223890 0.582047 1.119813
C 5.534054 -0.743819 -2.350188
C 6.523524 -1.866751 -0.289050
C 6.176137 0.656571 -0.296245
C -5.200277 2.059817 -0.182503
C -4.370526 4.072246 1.143538
C -3.473150 3.659016 -1.205779
C 3.206958 -0.181619 -0.399735
C -2.278716 1.158304 0.154304
C -0.975981 -1.846023 0.636269
C -2.778012 -3.256804 1.502623
C -3.656897 -3.550234 0.283812
H 0.560995 -0.892695 -1.242932
H 0.692704 0.759256 -0.590882
H 2.071929 -1.781494 0.517996
H 2.037909 -0.230417 1.388908
H -1.741202 0.281206 2.044849
H -0.517586 1.390018 1.383119
H 4.909566 0.085065 -2.717925
H 6.537605 -0.661822 -2.806653
H 5.087403 -1.700957 -2.672795
H 6.107790 -2.834392 -0.618420
H 6.554273 -1.859318 0.814124
H 7.556113 -1.776993 -0.671697
H 6.195313 0.666391 0.808120
H 7.207346 0.821794 -0.658743
H 5.540819 1.481880 -0.653549
H -5.512066 1.561511 0.752392
H -6.059837 2.638611 -0.567300
H -4.930647 1.293476 -0.925835
H -3.493810 4.703920 1.367833
H -4.701178 3.590155 2.079512
H -5.185514 4.720309 0.774216
H -3.205307 2.893305 -1.950460
H -2.582666 4.273861 -0.985041
H -4.246142 4.319022 -1.640340
H -3.365070 -3.200502 2.433996
H -1.973004 -4.005949 1.604253
H -4.177209 -4.516812 0.421234
H -4.417421 -2.761870 0.147568
H -3.042462 -3.613917 -0.629476


