%chk=000021550.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021550

0 1
O -1.431920 -1.004634 -0.179174
O 3.888495 -2.395479 -0.049548
O 4.839192 2.192769 0.293319
N -4.946048 0.252152 -0.019371
N 0.882544 -1.523857 -0.116643
N 2.597736 1.593196 0.160348
N 4.343565 -0.069874 0.123200
N 0.298194 0.697580 0.005453
C 2.081302 -0.781158 -0.017378
C -3.803112 -0.617876 -0.394124
C 1.679780 0.561659 0.053927
C -2.460011 0.081930 -0.150270
C -0.135698 -0.588390 -0.097545
C -6.214491 -0.518971 0.120025
C -5.085182 1.403508 -0.960757
C 3.451844 -1.203940 0.011486
C 3.980260 1.298341 0.198486
C 0.747501 -2.984131 -0.218018
C 2.148516 2.995992 0.235971
C -6.192938 -1.543496 1.270578
C -6.093469 2.470912 -0.494812
C 5.798544 -0.342350 0.163999
H -3.860955 -0.965281 -1.456804
H -3.817198 -1.516031 0.245686
H -2.444026 0.566202 0.841829
H -2.186250 0.822408 -0.920908
H -7.016655 0.209534 0.327973
H -6.485761 -1.032696 -0.839522
H -4.094794 1.886750 -1.044013
H -5.357270 1.050663 -1.990478
H -0.323300 -3.227698 -0.288646
H 1.277662 -3.354071 -1.110264
H 1.185710 -3.470338 0.668458
H 3.045802 3.626420 0.318853
H 1.499007 3.139170 1.115884
H 1.578672 3.261389 -0.670429
H -5.546969 -2.414424 1.059956
H -5.836760 -1.062117 2.198518
H -7.213320 -1.929853 1.447605
H -7.141386 2.132779 -0.573358
H -5.893943 2.748489 0.555355
H -5.994213 3.377452 -1.119312
H 5.927178 -1.432622 0.097527
H 6.230188 0.042741 1.102309
H 6.301780 0.159550 -0.678571


%chk=000021550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021550

0 1
O -1.434968 -1.102799 -0.390145
O 3.943256 -2.242921 -0.624925
O 4.716948 2.171919 0.860708
N -4.951667 0.162331 -0.198697
N 0.900642 -1.518350 -0.461845
N 2.482734 1.506202 0.582514
N 4.300633 -0.014883 0.122183
N 0.222897 0.573351 0.212832
C 2.068128 -0.770276 -0.183948
C -3.842524 -0.803830 -0.386213
C 1.609529 0.492431 0.222968
C -2.512107 -0.108872 -0.077913
C -0.157259 -0.664451 -0.207100
C -6.160948 -0.433522 0.429423
C -5.243863 0.948429 -1.429709
C 3.456192 -1.123761 -0.267585
C 3.881575 1.276986 0.541318
C 0.825978 -2.911718 -0.923684
C 1.970680 2.822615 1.007222
C -5.974478 -0.718637 1.931504
C -5.876738 2.321197 -1.134130
C 5.765778 -0.226143 0.088959
H -3.812130 -1.227987 -1.416933
H -3.968426 -1.654295 0.306238
H -2.438697 0.178739 0.984377
H -2.350251 0.789236 -0.699953
H -6.989041 0.287763 0.309052
H -6.475774 -1.368883 -0.098625
H -4.286503 1.111123 -1.959916
H -5.897067 0.371558 -2.132193
H -0.234419 -3.174230 -1.056621
H 1.364754 -3.026023 -1.877948
H 1.289650 -3.584587 -0.184264
H 2.839232 3.456372 1.237684
H 1.331753 2.711137 1.899359
H 1.371704 3.275203 0.199101
H -5.164429 -1.447989 2.116391
H -5.721545 0.213389 2.465966
H -6.902893 -1.135911 2.363856
H -6.857725 2.226667 -0.634741
H -5.215332 2.910225 -0.475382
H -6.034612 2.882538 -2.073817
H 5.937970 -1.255706 -0.257444
H 6.193605 -0.079172 1.094299
H 6.237559 0.497832 -0.595419


