%chk=000298742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298742

0 1
O 0.675921 0.770014 0.353550
O -4.454687 -2.640038 -0.775478
O 2.458323 -0.463941 0.465947
O 1.458811 -0.134176 -1.611776
C -0.492795 1.366852 -0.370200
C -1.569007 0.322374 -0.417434
C -0.827264 2.596328 0.439037
C -1.631317 -0.538493 -1.534411
C -2.490667 0.170492 0.625377
C -1.617231 3.592916 -0.154825
C -0.368720 2.754370 1.753073
C -2.610758 -1.515861 -1.619685
C -3.488043 -0.807190 0.564578
C -3.538563 -1.639020 -0.560720
C -1.944230 4.741831 0.568956
C -0.695093 3.909532 2.469800
C -1.482964 4.902529 1.880433
C 1.519414 0.030470 -0.417041
C 3.526610 -1.270611 0.023429
C -5.452987 -2.880329 0.246657
C 3.773024 -1.656497 -1.292414
C 4.342051 -1.652051 1.101790
C 4.891690 -2.463283 -1.533653
C 5.447992 -2.455293 0.828907
C 5.724376 -2.861146 -0.484553
H -0.132721 1.645680 -1.391983
H -0.888139 -0.441145 -2.333112
H -2.435272 0.822772 1.500414
H -1.979962 3.471479 -1.174586
H 0.251189 1.977302 2.207848
H -2.677526 -2.188976 -2.471682
H -4.195580 -0.908354 1.379820
H -2.558343 5.514959 0.109720
H -0.332659 4.033838 3.489187
H -1.736815 5.801085 2.440070
H 3.120565 -1.345210 -2.112720
H 4.102383 -1.321969 2.110560
H -6.021403 -3.713268 -0.188119
H -6.086041 -1.997741 0.374160
H -4.973348 -3.179903 1.182887
H 5.109152 -2.780779 -2.553786
H 6.100694 -2.768693 1.643610
H 6.590641 -3.488158 -0.685229


%chk=000298742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298742

0 1
O 0.682370 0.706352 0.447841
O -4.618321 -2.581894 -0.962709
O 2.479641 -0.565498 0.520925
O 1.530300 -0.077179 -1.597454
C -0.483109 1.360594 -0.279776
C -1.606526 0.349582 -0.428856
C -0.830006 2.622032 0.507070
C -1.772346 -0.350513 -1.653516
C -2.477460 0.053852 0.646582
C -1.977851 3.364746 0.126136
C -0.018686 3.101654 1.562824
C -2.783524 -1.315061 -1.802256
C -3.492735 -0.916368 0.517489
C -3.646473 -1.603204 -0.714712
C -2.303671 4.568988 0.785738
C -0.350695 4.304958 2.227431
C -1.490310 5.044936 1.841188
C 1.560102 0.007056 -0.349912
C 3.592429 -1.363644 0.097490
C -5.524924 -2.932976 0.134052
C 3.890760 -1.720729 -1.236754
C 4.397877 -1.786782 1.177495
C 5.032953 -2.522625 -1.471070
C 5.530963 -2.585421 0.920243
C 5.854039 -2.956755 -0.406863
H -0.102079 1.629154 -1.284194
H -1.090906 -0.145491 -2.486615
H -2.360938 0.588574 1.595849
H -2.618710 2.995395 -0.683261
H 0.861673 2.527817 1.863584
H -2.921698 -1.860391 -2.740426
H -4.149061 -1.126239 1.367131
H -3.191160 5.133455 0.478242
H 0.283826 4.663170 3.045982
H -1.743778 5.979048 2.354904
H 3.258427 -1.385130 -2.059308
H 4.123738 -1.485561 2.192655
H -6.184552 -3.710550 -0.277802
H -6.128938 -2.061075 0.452033
H -4.968274 -3.336409 1.001978
H 5.275580 -2.806413 -2.501071
H 6.158444 -2.915958 1.754862
H 6.734310 -3.576797 -0.606767


