%chk=000222607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222607

0 1
O -0.055385 -0.771869 -0.000043
O 0.793093 -0.194871 -2.037559
O 3.381040 -2.578408 1.579103
O 2.365098 -2.649048 -0.412280
O 1.615804 3.850365 -0.637709
O 0.047939 2.358449 -0.634159
N 1.188273 2.728576 -0.432960
C -2.312255 -1.471794 0.453665
C -1.199376 -1.503517 -0.616661
C -0.690601 -2.909802 -0.941589
C -3.183807 -0.240148 0.316573
C -1.756183 -1.566420 1.878073
C -1.619110 -3.628058 -1.913076
C -4.579638 -0.380207 0.289154
C -2.617202 1.039435 0.232347
C 0.858918 -0.210462 -0.835661
C 1.983048 0.361747 0.002111
C -5.395886 0.748784 0.173451
C -3.435494 2.164841 0.111729
C -4.826738 2.022599 0.082787
C 2.919060 -0.492943 0.609282
C 2.147378 1.747816 0.150255
C 3.991286 0.036227 1.349077
C 3.232955 2.278116 0.869338
C 4.149985 1.418031 1.471697
C 2.817218 -1.971069 0.477513
H -2.947597 -2.381430 0.269202
H -1.487225 -0.942387 -1.534691
H 0.332303 -2.838374 -1.380972
H -0.559353 -3.501721 -0.015603
H -1.187211 -2.489912 2.025340
H -2.563263 -1.538856 2.618662
H -1.080132 -0.727464 2.094431
H -1.240160 -4.631272 -2.144848
H -2.630977 -3.745152 -1.509326
H -1.702081 -3.089071 -2.866130
H -5.033368 -1.366185 0.358580
H -1.530392 1.154842 0.253854
H -6.477902 0.634147 0.151964
H -2.984519 3.153614 0.034783
H -5.462851 2.899560 -0.012147
H 4.700613 -0.648078 1.831351
H 3.349881 3.367536 0.947759
H 4.990515 1.825087 2.038614
H 3.336798 -3.574157 1.524022


%chk=000222607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222607

0 1
O -0.034102 -0.761753 0.032591
O 1.122414 -0.512906 -1.994212
O 3.866331 -2.551047 1.726932
O 2.234316 -2.676414 0.086511
O 1.710534 3.821880 -0.815828
O 0.206626 2.122773 -0.983750
N 1.345636 2.601414 -0.618548
C -2.378957 -1.464008 0.354441
C -1.191995 -1.477323 -0.646339
C -0.755026 -2.899698 -1.059114
C -3.269510 -0.219673 0.281093
C -1.924525 -1.725168 1.819427
C -1.716883 -3.508328 -2.104276
C -4.669618 -0.357569 0.469341
C -2.741578 1.079814 0.071994
C 1.018027 -0.365795 -0.757122
C 2.106825 0.293412 0.084158
C -5.522393 0.768484 0.452358
C -3.592530 2.208166 0.047546
C -4.985003 2.059531 0.240927
C 3.057898 -0.483324 0.812721
C 2.295357 1.699324 0.092242
C 4.112924 0.143511 1.525729
C 3.354650 2.329619 0.780259
C 4.265331 1.543159 1.508068
C 2.975962 -1.975157 0.808473
H -3.006782 -2.327532 0.053433
H -1.427071 -0.886700 -1.553049
H 0.259514 -2.855201 -1.485451
H -0.695407 -3.545514 -0.162523
H -1.296069 -2.631785 1.890991
H -2.808808 -1.861343 2.466676
H -1.342174 -0.871857 2.202733
H -1.386354 -4.524712 -2.383745
H -2.754260 -3.587137 -1.728995
H -1.735441 -2.895868 -3.024780
H -5.096046 -1.357579 0.625235
H -1.667424 1.216890 -0.081069
H -6.601483 0.639140 0.595712
H -3.164818 3.201990 -0.127237
H -5.643171 2.935601 0.220675
H 4.808955 -0.488655 2.081920
H 3.436613 3.418495 0.733227
H 5.085122 2.017015 2.055321
H 3.786894 -3.541075 1.674609


