%chk=000230042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230042

0 1
O -2.783176 -0.245283 -0.666933
O 2.780276 -0.121983 0.648938
O -3.601936 1.331029 0.775723
O 3.574260 1.291356 -0.966165
N -4.823016 -0.610588 0.308011
N 4.826984 -0.562865 -0.279122
C -1.688913 0.651314 -1.029225
C 1.670672 0.791844 0.906267
C -0.664812 0.682979 0.060613
C 0.647258 0.679967 -0.178926
C -3.717665 0.248968 0.234427
C 3.707439 0.280839 -0.304062
C -4.690464 -1.997027 -0.199508
C -5.688483 -0.452839 1.504302
C 4.717248 -1.883595 0.384894
C 5.691513 -0.529113 -1.485940
H -1.342027 0.179359 -1.968427
H -2.098951 1.662387 -1.226940
H 1.330864 0.425820 1.894063
H 2.063318 1.825800 0.985399
H -1.087342 0.736365 1.067998
H 1.069806 0.623206 -1.186108
H -5.693697 -2.405833 -0.404801
H -4.168626 -2.666911 0.502317
H -4.124808 -1.991553 -1.151937
H -5.372517 -1.081056 2.351616
H -6.724442 -0.714472 1.230080
H -5.684712 0.604404 1.836736
H 5.726982 -2.249230 0.634855
H 4.207287 -2.638489 -0.234552
H 4.150718 -1.777873 1.330931
H 6.731334 -0.739796 -1.183883
H 5.670316 0.482625 -1.937859
H 5.387515 -1.255956 -2.255182


%chk=000230042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230042

0 1
O -2.643700 0.135197 -0.685009
O 2.619897 0.238581 0.613014
O -3.725107 1.178113 1.127007
O 3.715565 1.105110 -1.281450
N -4.265231 -1.018449 0.484258
N 4.278407 -1.002882 -0.405011
C -1.837987 1.386459 -0.849394
C 1.797999 1.489395 0.638392
C -0.667251 1.414148 0.097816
C 0.628808 1.397231 -0.306679
C -3.570468 0.169601 0.381012
C 3.563902 0.177375 -0.436542
C -4.057971 -2.170819 -0.405158
C -5.288075 -1.151689 1.531642
C 4.078057 -2.058459 0.598637
C 5.321266 -1.225314 -1.417176
H -1.515526 1.353975 -1.902040
H -2.509193 2.246682 -0.673138
H 1.473137 1.569305 1.687777
H 2.458461 2.333650 0.368787
H -0.921072 1.474289 1.165302
H 0.883366 1.338613 -1.374130
H -4.979882 -2.389061 -0.979634
H -3.797807 -3.069019 0.188273
H -3.241635 -1.955255 -1.106223
H -5.041474 -1.990824 2.210610
H -6.282264 -1.342743 1.082924
H -5.326759 -0.216836 2.110285
H 4.994448 -2.196156 1.205952
H 3.844398 -3.019467 0.100180
H 3.246583 -1.786720 1.261427
H 6.311830 -1.344349 -0.936541
H 5.350023 -0.357692 -2.092897
H 5.103457 -2.138188 -2.004675


