%chk=000185284.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185284

0 1
O -0.647842 2.978974 0.978790
O -4.513415 -1.898211 0.419613
O -5.977098 -0.185358 -0.325454
O 5.165216 -1.639513 -1.097624
O 5.977826 0.211766 0.147210
N -0.141926 -1.243937 0.858440
C -0.411837 0.903575 -0.338770
C 0.382491 -0.447793 -0.310200
C -0.063283 1.658041 0.982461
C -1.912850 0.643618 -0.364935
C 1.869442 -0.193180 -0.157254
C 1.434172 1.945637 1.142000
C 0.009325 1.709733 -1.574337
C -2.407644 -0.613587 0.080235
C -1.528362 -1.729045 0.561194
C 2.348154 0.912407 0.555753
C -2.791047 1.642777 -0.796638
C 2.756591 -1.118815 -0.774039
C 0.723936 -2.400125 1.228280
C -3.781655 -0.773911 0.044535
C 3.745804 1.134303 0.721929
C 4.099540 -0.890187 -0.608917
C -4.660031 0.250566 -0.401644
C -4.191848 1.473814 -0.827683
C 4.589436 0.223296 0.137697
C -5.920249 -1.552595 0.198560
C 6.378659 -0.962157 -0.634682
H 0.200927 -0.973297 -1.285478
H -0.465799 1.094760 1.855503
H 1.658691 2.088016 2.220952
H 1.644176 2.937719 0.672017
H 1.097099 1.713681 -1.713033
H -0.438050 1.314751 -2.491707
H -0.291463 2.762411 -1.468239
H -1.944669 -2.141417 1.513961
H -1.558361 -2.562299 -0.180462
H -2.388129 2.603116 -1.130273
H 2.385847 -1.963949 -1.346975
H 0.931192 -3.108244 0.413346
H 0.256730 -2.951392 2.060364
H 1.686732 -2.013973 1.607748
H 4.119332 1.987026 1.282189
H -1.612981 2.924374 1.120074
H -4.854596 2.262782 -1.169425
H -6.426903 -1.561559 1.172441
H -6.315205 -2.225799 -0.573340
H 6.925123 -0.606818 -1.518057
H 6.912200 -1.646982 0.037175


%chk=000185284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185284

0 1
O -0.742127 2.973536 1.133240
O -4.528897 -1.940465 0.396874
O -6.049560 -0.199491 -0.266588
O 5.224467 -1.705979 -1.061218
O 6.063434 0.175553 0.181721
N -0.163099 -1.262118 0.812310
C -0.409277 0.938868 -0.343962
C 0.384402 -0.415860 -0.305208
C -0.033969 1.690465 0.986994
C -1.924809 0.675834 -0.353585
C 1.886443 -0.173695 -0.163081
C 1.455497 2.046949 1.054507
C 0.007844 1.757367 -1.593305
C -2.428171 -0.597020 0.061588
C -1.523653 -1.733277 0.484481
C 2.384657 0.955594 0.543490
C -2.835747 1.694397 -0.750289
C 2.787383 -1.111693 -0.753569
C 0.677458 -2.387178 1.266002
C -3.816052 -0.763256 0.036194
C 3.790519 1.139214 0.710188
C 4.153241 -0.908315 -0.579245
C -4.706934 0.251834 -0.352832
C -4.244358 1.504383 -0.758339
C 4.646103 0.194418 0.148793
C -5.966705 -1.608792 0.201179
C 6.464257 -1.033222 -0.588908
H 0.216984 -0.936925 -1.284626
H -0.304293 1.006076 1.814940
H 1.711420 2.323826 2.094163
H 1.604701 2.964031 0.449299
H 1.103246 1.763099 -1.722672
H -0.440803 1.331354 -2.508415
H -0.320852 2.807058 -1.500935
H -1.951414 -2.236009 1.372411
H -1.506907 -2.506185 -0.331861
H -2.443084 2.653263 -1.098442
H 2.412844 -1.968646 -1.320488
H 0.841547 -3.170478 0.483806
H 0.180692 -2.870920 2.126800
H 1.661377 -2.023443 1.597484
H 4.181895 2.005448 1.251624
H -1.712734 2.784708 1.215032
H -4.929742 2.296175 -1.069830
H -6.491066 -1.698278 1.168274
H -6.384594 -2.271478 -0.576670
H 7.059086 -0.718787 -1.463947
H 7.012751 -1.718940 0.079920


