%chk=000189945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189945

2 1
O 5.298122 -1.662009 1.000425
O -5.379596 -1.637700 -0.678187
N 3.525413 0.215302 -0.406833
N -3.526096 0.451604 0.236203
C 0.738389 0.312186 -0.151463
C -0.738882 0.362363 -0.019629
C 5.015589 0.153492 -0.546384
C -5.017888 0.495347 0.364489
C 1.457776 1.436287 -0.596213
C -1.344269 1.172862 0.957875
C 1.444783 -0.856135 0.163874
C -1.558657 -0.400383 -0.862009
C 2.845686 1.374546 -0.719745
C -2.733548 1.205221 1.077366
C 2.836966 -0.891189 0.034040
C -2.949534 -0.345376 -0.725684
C 5.686663 -0.311817 0.763083
C -5.611298 -0.919564 0.530584
H 5.267591 -0.558177 -1.377819
H 5.424299 1.146997 -0.855493
H -5.321148 1.142378 1.224133
H -5.441966 0.981291 -0.554856
H 0.940716 2.371863 -0.857277
H -0.736178 1.781799 1.643652
H 0.925492 -1.758112 0.523219
H -1.130316 -1.048420 -1.642142
H 3.423910 2.250967 -1.071710
H -3.222814 1.835043 1.845677
H 3.430955 -1.805871 0.304166
H -3.629792 -0.961872 -1.373173
H 6.788631 -0.205340 0.693187
H 5.327573 0.253336 1.649304
H -5.096278 -1.506769 1.320314
H -6.691610 -0.860726 0.775530
H 6.045232 -2.291670 0.838330
H -6.214815 -1.761454 -1.195935


%chk=000189945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189945

2 1
O 5.087948 -1.807402 0.789400
O -5.144937 -1.890632 -0.003796
N 3.557577 0.278712 -0.407347
N -3.562514 0.482626 -0.016414
C 0.743389 0.351236 -0.222625
C -0.745500 0.391862 -0.143819
C 5.062459 0.216368 -0.483729
C -5.068606 0.498496 0.059603
C 1.524853 1.525572 -0.035434
C -1.415001 1.280857 0.742838
C 1.434015 -0.860023 -0.495514
C -1.548644 -0.452075 -0.957019
C 2.920237 1.465819 -0.132148
C -2.813762 1.305909 0.791729
C 2.833104 -0.879059 -0.582965
C -2.947582 -0.393632 -0.882365
C 5.665954 -0.466162 0.755198
C -5.613416 -0.747777 0.776782
H 5.326039 -0.359447 -1.386381
H 5.449207 1.242435 -0.587749
H -5.381475 1.415073 0.584252
H -5.453734 0.526879 -0.973164
H 1.064851 2.499630 0.149242
H -0.866375 1.941129 1.419274
H 0.903878 -1.807808 -0.618254
H -1.106849 -1.140583 -1.681655
H 3.549634 2.349572 -0.008449
H -3.359707 1.971778 1.463356
H 3.410425 -1.786814 -0.763186
H -3.606536 -1.028190 -1.476207
H 6.764287 -0.488280 0.612485
H 5.435360 0.100563 1.679698
H -5.256286 -0.797209 1.825115
H -6.718212 -0.666967 0.777198
H 5.534182 -2.380856 1.459886
H -5.579162 -2.731300 0.283062


