%chk=000277788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277788

0 1
O 2.006454 1.810455 -0.568962
O -0.143642 -2.064630 -0.358137
O 0.272819 2.192527 0.819599
O 0.656927 -0.928241 1.436582
O -4.384708 1.422357 0.937381
O 2.805966 -1.202112 -0.979547
N -4.408851 -1.795150 -0.110948
C 0.205597 0.243428 -0.695997
C -1.296200 0.477983 -1.003677
C 0.940448 -0.091888 -2.005390
C -2.127127 0.821335 0.234442
C 0.786032 1.501023 -0.025223
C 0.309111 -0.943929 0.284063
C -3.632450 0.718410 -0.047004
C 2.417827 -0.441146 -1.834041
C 3.338995 0.188489 -2.835241
C 2.799389 2.859057 0.090886
C -0.108671 -3.335306 0.380490
C -4.068091 -0.693562 -0.085894
C 3.498473 2.258052 1.288552
C -1.312911 -3.427239 1.289792
H -1.395739 1.284015 -1.758051
H -1.693575 -0.447264 -1.480483
H 0.449910 -0.974417 -2.480983
H 0.820877 0.749627 -2.716686
H -1.844341 0.181484 1.096248
H -1.894848 1.858355 0.582026
H -3.932052 1.244731 -0.992235
H 3.409557 1.273189 -2.655909
H 3.011307 0.041915 -3.870384
H 4.357856 -0.219450 -2.748297
H 2.127963 3.695617 0.354838
H 3.486122 3.142842 -0.725890
H 0.851620 -3.395230 0.924310
H -0.133607 -4.054616 -0.458391
H -4.170262 1.114275 1.847537
H 2.786628 2.015736 2.093269
H 4.005720 1.316151 1.031045
H 4.248121 2.939745 1.706283
H -1.259066 -2.690921 2.104330
H -2.251630 -3.247932 0.745495
H -1.389647 -4.419469 1.751903


%chk=000277788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277788

0 1
O 2.182833 1.695287 -0.457096
O -0.115642 -1.992427 -0.274203
O 0.216048 2.484826 0.491995
O 0.872011 -0.694644 1.399678
O -4.476523 1.048310 1.230660
O 2.665252 -1.314976 -1.138911
N -4.706902 -1.206635 -1.404623
C 0.199061 0.337649 -0.770418
C -1.339249 0.549761 -0.989945
C 0.857495 -0.015819 -2.138933
C -2.184995 0.638582 0.300943
C 0.829112 1.613364 -0.164002
C 0.405634 -0.815338 0.246840
C -3.691176 0.838342 0.004616
C 2.299418 -0.540469 -2.060781
C 3.230807 -0.125209 -3.185775
C 2.957929 2.780237 0.233579
C 0.067281 -3.224535 0.556758
C -4.256044 -0.288030 -0.789914
C 3.368229 2.319761 1.633688
C -1.063546 -3.368935 1.578438
H -1.475585 1.476596 -1.581084
H -1.699867 -0.296474 -1.603202
H 0.258832 -0.827999 -2.598880
H 0.805651 0.855569 -2.816299
H -2.060923 -0.285736 0.898492
H -1.855098 1.492101 0.915005
H -3.841161 1.774220 -0.562702
H 3.441733 0.957411 -3.092366
H 2.755520 -0.279347 -4.172915
H 4.175931 -0.686976 -3.133503
H 2.329826 3.687723 0.266054
H 3.824865 2.936773 -0.427996
H 1.055797 -3.162145 1.043161
H 0.060860 -4.036592 -0.187271
H -4.341008 0.273761 1.836142
H 2.482331 2.157390 2.269067
H 3.940021 1.378121 1.584571
H 4.001130 3.093686 2.106412
H -1.023102 -2.556312 2.323123
H -2.048677 -3.361714 1.079630
H -0.957809 -4.330860 2.113667


