%chk=000232201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232201

0 1
O -2.114991 -1.768768 1.240055
O 3.922350 1.494623 -0.132801
O -1.255867 -2.183436 -0.814806
O 2.489568 1.440229 -1.887874
O -4.331057 2.109547 -0.521234
O 1.772095 -2.254506 1.890696
N -3.616637 0.224733 0.567675
N 3.197476 -0.678534 1.007393
N -4.238428 -0.939408 -2.563400
N 3.052783 -2.307903 -1.946242
C -1.696622 0.815437 -0.992860
C 0.910538 -0.329680 -0.061999
C -0.889650 1.442037 0.110538
C 0.344619 0.917289 0.556531
C -2.729972 -0.242001 -0.517320
C 2.443557 -0.395553 -0.235548
C -1.383491 2.625595 0.684043
C 1.017684 1.566919 1.603273
C -1.951064 -1.520560 -0.086475
C 2.917972 0.943812 -0.881558
C -0.696892 3.267682 1.714407
C 0.504508 2.729572 2.181111
C -3.572855 -0.638782 -1.671889
C 2.779221 -1.465520 -1.208963
C -4.378832 1.405151 0.469138
C 2.808393 -1.621692 1.976613
C -1.376381 -2.902852 1.832338
C 4.513822 2.758838 -0.597713
C -5.229186 1.684270 1.673621
C 3.782210 -1.759260 3.111153
C -2.003386 -4.207358 1.404241
C 5.454774 2.489143 -1.748941
H -1.028939 0.354259 -1.758762
H -2.257359 1.615140 -1.544398
H 0.583583 -1.220170 0.542937
H 0.449963 -0.498673 -1.071050
H -2.316260 3.056113 0.306686
H 1.958016 1.170001 1.980408
H -3.590094 -0.314938 1.437590
H 4.085036 -0.173398 1.107686
H -1.094344 4.183793 2.147215
H 1.043743 3.216979 2.991190
H -0.310680 -2.809160 1.533871
H -1.504429 -2.674119 2.905526
H 3.690146 3.445438 -0.865133
H 5.024111 3.090914 0.324642
H -5.950401 0.879394 1.874268
H -5.816836 2.604247 1.510839
H -4.633687 1.838795 2.583531
H 3.957801 -0.814148 3.642082
H 3.392418 -2.477363 3.853598
H 4.756525 -2.147414 2.780591
H -3.083059 -4.231454 1.596037
H -1.858784 -4.386993 0.326194
H -1.550288 -5.056594 1.932733
H 6.181200 1.701368 -1.511514
H 4.907608 2.163951 -2.648359
H 6.019653 3.389265 -2.024012


%chk=000232201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232201

0 1
O -1.945610 -2.046268 0.861124
O 4.121413 1.456663 -0.107121
O -1.453168 -2.063483 -1.421173
O 2.663439 1.338960 -1.927367
O -4.624996 1.923023 0.071240
O 1.607407 -2.144517 2.016882
N -3.427736 0.071856 0.800454
N 2.987153 -0.412758 1.283300
N -4.697843 -0.670170 -2.366848
N 3.011783 -2.470257 -1.482185
C -1.874007 0.949051 -1.058336
C 0.835012 -0.091720 -0.091416
C -1.023708 1.670674 -0.017593
C 0.261253 1.222711 0.429604
C -2.815887 -0.217957 -0.505822
C 2.394343 -0.270697 -0.065914
C -1.534986 2.896730 0.484994
C 0.960313 2.010506 1.381261
C -2.000732 -1.547717 -0.427837
C 3.052449 0.930070 -0.820145
C -0.823864 3.672365 1.423471
C 0.433122 3.221233 1.877569
C -3.873600 -0.458700 -1.532616
C 2.729013 -1.492537 -0.862029
C -4.308398 1.121656 1.002758
C 2.580143 -1.355291 2.216298
C -1.200243 -3.347872 1.069742
C 4.866253 2.595613 -0.754539
C -4.860714 1.247000 2.417374
C 3.391659 -1.376517 3.506578
C -2.187188 -4.511284 1.015535
C 5.936773 2.061280 -1.705821
H -1.273383 0.500669 -1.869784
H -2.555716 1.682773 -1.516604
H 0.439379 -0.942931 0.487551
H 0.537122 -0.243978 -1.142705
H -2.511376 3.239257 0.124207
H 1.930116 1.670265 1.752535
H -3.173778 -0.568030 1.557475
H 3.829040 0.146563 1.445968
H -1.244809 4.615850 1.787381
H 1.002600 3.805100 2.609639
H -0.424469 -3.419765 0.290209
H -0.721940 -3.216759 2.050640
H 4.126738 3.225148 -1.278135
H 5.293066 3.138162 0.103312
H -4.560845 0.419552 3.082578
H -5.961787 1.288549 2.367363
H -4.513994 2.198941 2.856232
H 4.160565 -0.587072 3.558496
H 2.706682 -1.266767 4.364288
H 3.883889 -2.359911 3.603480
H -2.988964 -4.395838 1.765165
H -2.642803 -4.602858 0.014855
H -1.647377 -5.451782 1.231414
H 6.637069 1.388232 -1.182556
H 5.481401 1.519815 -2.551386
H 6.515628 2.909467 -2.115443


