%chk=000257332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257332

0 1
O -1.303816 -0.305634 1.849046
O 1.305662 -0.328967 -1.835832
N -1.185878 -1.241822 -0.243592
N 1.192460 -1.231571 0.271742
C 0.005521 -2.114823 0.021222
C 0.244671 -2.987258 -1.216433
C -0.229244 -2.968178 1.272936
C -1.699201 -0.336971 0.694265
C 1.701194 -0.339483 -0.680709
C -2.789842 0.548801 0.169686
C 2.787304 0.560292 -0.170789
C -4.022902 0.567057 0.834248
C 4.019721 0.574999 -0.836662
C -2.568683 1.373310 -0.941246
C 2.562547 1.400715 0.927417
C -5.044140 1.402731 0.373152
C 5.036749 1.423254 -0.389475
C -3.592333 2.210560 -1.393451
C 3.581979 2.250433 1.365697
C -4.829396 2.222582 -0.739733
C 4.818431 2.259058 0.710784
H 1.120801 -3.632610 -1.076498
H 0.451267 -2.379439 -2.115205
H -0.611615 -3.634479 -1.431929
H -0.438888 -2.346859 2.161709
H -1.102128 -3.620106 1.143577
H 0.630272 -3.607512 1.498861
H -1.469401 -1.159800 -1.222664
H 1.475736 -1.132439 1.249291
H -4.177190 -0.062999 1.711580
H 4.176708 -0.067715 -1.704288
H -1.601192 1.372626 -1.446647
H 1.595467 1.402666 1.433605
H -6.005239 1.418186 0.884918
H 5.997335 1.436029 -0.902276
H -3.424317 2.855378 -2.255045
H 3.411123 2.907605 2.217341
H -5.625922 2.874873 -1.096228
H 5.611678 2.921113 1.056427


%chk=000257332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257332

0 1
O -1.215813 -0.275067 1.813100
O 1.236736 -0.310934 -1.810530
N -1.176823 -1.363991 -0.254188
N 1.187057 -1.355733 0.279635
C 0.006763 -2.223950 0.019485
C 0.235215 -3.117836 -1.221945
C -0.219004 -3.098026 1.275539
C -1.633777 -0.383491 0.612998
C 1.645384 -0.391604 -0.605162
C -2.676427 0.547860 0.048857
C 2.677647 0.557655 -0.051786
C -3.630563 1.099276 0.940981
C 3.639828 1.092540 -0.945292
C -2.699587 0.925043 -1.320155
C 2.682475 0.967027 1.308150
C -4.618594 1.986439 0.466278
C 4.618173 1.995184 -0.479732
C -3.684467 1.821093 -1.791344
C 3.657682 1.878419 1.769897
C -4.651583 2.345337 -0.902719
C 4.633172 2.386108 0.880798
H 1.110758 -3.765250 -1.050106
H 0.427772 -2.501576 -2.114787
H -0.647479 -3.761452 -1.388093
H -0.413787 -2.467731 2.158060
H -1.092223 -3.751345 1.114459
H 0.665964 -3.735522 1.452602
H -1.519870 -1.359774 -1.215979
H 1.522296 -1.326963 1.243806
H -3.572940 0.825507 1.999586
H 3.596177 0.793869 -1.997822
H -1.921519 0.572359 -2.008912
H 1.897248 0.627130 1.995241
H -5.358580 2.401485 1.159401
H 5.364638 2.397349 -1.173503
H -3.687561 2.120965 -2.844966
H 3.646749 2.202906 2.816149
H -5.415959 3.038826 -1.270805
H 5.390120 3.091471 1.241608


