%chk=000191329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191329

1 1
O 4.580846 -1.871362 0.818465
O 4.540178 -1.654622 -1.338226
N -2.986776 -0.239685 -0.065858
N 4.159321 -1.383882 -0.214046
C -1.955279 0.680481 0.602960
C -4.236469 0.557960 -0.483529
C -3.360325 -1.333080 0.954837
C -2.393272 -0.875455 -1.339213
C -1.478287 1.834617 -0.288090
C -4.929299 1.254796 0.671706
C -4.381063 -2.327445 0.436505
C -1.125936 -1.669783 -1.089759
C -0.161763 2.424062 0.241072
C 0.982679 1.452845 0.126684
C 1.521842 0.860187 1.279749
C 1.506856 1.131696 -1.137088
C 2.569818 -0.055232 1.175417
C 2.552584 0.217145 -1.252380
C 3.065107 -0.385977 -0.093805
H -1.079289 0.056779 0.912813
H -2.392724 1.088939 1.543937
H -3.938279 1.306413 -1.255710
H -4.948792 -0.143377 -0.983665
H -2.425424 -1.869030 1.250635
H -3.748107 -0.835426 1.876401
H -3.171614 -1.531584 -1.798597
H -2.185900 -0.058341 -2.073501
H -1.329815 1.501374 -1.337618
H -2.242443 2.639224 -0.327865
H -5.818109 1.802317 0.304612
H -5.306772 0.564130 1.439051
H -4.305084 2.007451 1.172251
H -4.599943 -3.083973 1.214004
H -5.350507 -1.874833 0.185744
H -4.036338 -2.897396 -0.437867
H -0.779202 -2.135629 -2.031410
H -0.283693 -1.052760 -0.739480
H -1.256229 -2.500388 -0.382444
H 0.080806 3.351665 -0.329551
H -0.284870 2.776897 1.287279
H 1.149668 1.133268 2.267657
H 1.119368 1.618042 -2.032734
H 3.011033 -0.515366 2.069532
H 2.981898 -0.033261 -2.231475


%chk=000191329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191329

1 1
O 4.774495 -1.791922 0.974067
O 4.846979 -1.461761 -1.284693
N -3.039086 -0.272025 -0.109527
N 4.356887 -1.240422 -0.113268
C -1.910515 0.603768 0.491455
C -4.283013 0.585052 -0.461853
C -3.384859 -1.339351 0.965094
C -2.577683 -0.948782 -1.430395
C -1.455390 1.806016 -0.352269
C -4.920679 1.343674 0.706103
C -4.460649 -2.357655 0.574383
C -1.348786 -1.857068 -1.321019
C -0.158918 2.428785 0.259287
C 1.041530 1.493220 0.177464
C 1.565163 0.866339 1.338664
C 1.647314 1.220264 -1.079491
C 2.654734 -0.026135 1.255759
C 2.736477 0.333580 -1.184977
C 3.216270 -0.286360 -0.010923
H -1.062261 -0.076658 0.672383
H -2.277752 0.944263 1.475178
H -3.951664 1.284306 -1.247386
H -5.008263 -0.107556 -0.919732
H -2.434589 -1.845183 1.202818
H -3.690651 -0.773418 1.860391
H -3.451181 -1.512709 -1.797240
H -2.393482 -0.127891 -2.142993
H -1.236286 1.507939 -1.394155
H -2.237914 2.586057 -0.387060
H -5.762531 1.933298 0.302255
H -5.340557 0.678486 1.478848
H -4.230641 2.058390 1.185105
H -4.608530 -3.032568 1.435999
H -5.439741 -1.896672 0.361025
H -4.169577 -2.992238 -0.279286
H -1.155824 -2.277158 -2.324135
H -0.434829 -1.317568 -1.021102
H -1.501426 -2.713087 -0.642506
H 0.052590 3.362764 -0.293071
H -0.348441 2.720032 1.309512
H 1.133594 1.093755 2.320541
H 1.281416 1.726321 -1.981148
H 3.075531 -0.511957 2.140350
H 3.223141 0.122239 -2.141052


