%chk=000296142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296142

0 1
O -2.851491 -2.546467 0.139475
O -5.533553 -1.558003 0.231520
O 0.992709 -1.478936 -0.087936
O 3.611048 2.230017 -1.004142
N 2.010668 0.558782 -0.632055
N -1.557555 3.455787 -0.070479
C 0.129966 1.817506 0.409369
C -1.310765 2.204666 0.159032
C -2.353461 1.146627 0.190221
C -3.698573 1.557455 0.228330
C 0.789804 1.355083 -0.900179
C -4.034886 3.020584 0.291668
C -2.934230 3.908008 -0.319293
C -2.039968 -0.222780 0.159207
C -4.725059 0.603617 0.244064
C 1.992099 -0.814035 -0.219974
C 3.350644 1.101879 -0.687591
C 3.434596 -1.182926 -0.018078
C 4.241562 -0.042955 -0.294034
C -3.053700 -1.175625 0.168716
C -4.416684 -0.761268 0.213151
C 3.997684 -2.380065 0.365785
C 5.613758 -0.095728 -0.186995
C 5.408238 -2.437732 0.477632
C 6.195537 -1.324906 0.208499
C -1.479604 -3.011339 0.069076
C -5.351075 -2.997172 0.198844
H 0.177966 1.029151 1.188091
H 0.690878 2.682913 0.828510
H 0.086859 0.732888 -1.502258
H 1.070831 2.240417 -1.520353
H -4.999486 3.227707 -0.212544
H -4.191273 3.295723 1.358242
H -3.073860 3.995895 -1.422421
H -3.009655 4.942169 0.089564
H -0.992538 -0.540848 0.126169
H -5.771877 0.902096 0.278883
H 3.384380 -3.256379 0.577920
H 6.235830 0.775527 -0.397861
H 5.874967 -3.376469 0.781126
H 7.281333 -1.388437 0.300455
H -0.919451 -2.693179 0.954696
H -0.995071 -2.648128 -0.843974
H -1.613450 -4.097848 0.047443
H -4.785088 -3.322973 1.078217
H -4.840093 -3.288957 -0.724959
H -6.385909 -3.355243 0.223618


%chk=000296142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296142

0 1
O -3.049416 -2.622659 0.438999
O -5.716925 -1.551614 0.430165
O 1.217380 -1.607805 0.134883
O 3.559220 2.245421 -1.217841
N 2.085875 0.477820 -0.597627
N -1.471432 3.365479 -0.086604
C 0.140486 1.654282 0.475078
C -1.296540 2.096672 0.223617
C -2.400676 1.093856 0.278879
C -3.743371 1.572666 0.311575
C 0.799471 1.148383 -0.841247
C -3.960800 3.075789 0.370967
C -2.855244 3.806865 -0.421856
C -2.158111 -0.306245 0.307633
C -4.802080 0.646921 0.338739
C 2.195135 -0.852178 -0.115994
C 3.368801 1.081469 -0.792778
C 3.662392 -1.126689 0.007194
C 4.366745 0.034395 -0.396738
C -3.224485 -1.230551 0.352538
C -4.573066 -0.748030 0.342704
C 4.336761 -2.281060 0.431301
C 5.768147 0.079896 -0.389755
C 5.756038 -2.245338 0.442940
C 6.460662 -1.083231 0.038980
C -1.671377 -3.127222 0.529453
C -5.801022 -2.782380 -0.383871
H 0.177729 0.855072 1.236012
H 0.709474 2.523267 0.844664
H 0.136770 0.430842 -1.356483
H 0.989546 2.003095 -1.511665
H -4.959193 3.352296 -0.014359
H -3.920628 3.405120 1.430972
H -2.999809 3.643016 -1.512199
H -2.907173 4.896460 -0.250991
H -1.130061 -0.681355 0.309929
H -5.844519 0.982302 0.358576
H 3.783601 -3.173183 0.741072
H 6.300942 0.982526 -0.704606
H 6.317403 -3.127512 0.768669
H 7.555658 -1.085268 0.058844
H -1.155318 -2.723439 1.419876
H -1.082518 -2.870736 -0.369380
H -1.777297 -4.218708 0.616365
H -5.043005 -3.517151 -0.072763
H -5.672893 -2.542809 -1.457004
H -6.818275 -3.162647 -0.204462


