%chk=000192018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192018

0 1
O -1.942972 0.524960 0.298911
O 0.368143 3.130346 -0.214440
O -0.390278 1.801360 -1.962846
O -4.042455 0.547167 -2.671425
O -5.696898 -0.939047 -0.782067
O 2.500756 3.460841 -2.671311
O 4.129679 2.326194 -1.206063
O -1.619242 -1.770465 0.494479
O 2.924294 1.153905 1.392155
O -4.677641 -0.210161 1.517362
O -0.803698 1.742279 2.368761
O 4.461872 -1.918355 2.067609
O 4.304073 -3.683147 0.830125
N 3.824577 -2.701603 1.377955
C -2.263325 0.602824 -1.124166
C -3.795665 0.477596 -1.264484
C -4.279733 -0.881266 -0.705434
C 1.873074 2.320448 -2.059946
C 2.830323 1.796575 -0.955958
C 0.503215 2.866656 -1.598150
C 2.415211 2.147451 0.492787
C -3.820968 -1.073333 0.757199
C 0.885759 2.086508 0.655481
C -1.769266 1.982973 -1.562341
C -2.358675 -0.621760 0.995317
C 0.395148 2.463767 2.056506
C -0.285373 -1.922506 0.786490
C 0.437090 -1.098841 1.658037
C 0.301310 -3.024550 0.124268
C 1.790572 -1.357689 1.852018
C 1.646508 -3.281266 0.334067
C 2.394342 -2.442445 1.188818
H -1.715651 -0.214001 -1.646827
H -4.328739 1.319704 -0.766097
H -3.944725 -1.728612 -1.352375
H 1.707268 1.528535 -2.831527
H 2.983224 0.693442 -1.050577
H 0.220306 3.830430 -2.074282
H 2.819140 3.142035 0.788476
H -3.956055 -2.132538 1.076649
H 0.460870 1.104170 0.331066
H -1.848561 2.729783 -0.750506
H -2.310005 2.320203 -2.471536
H -2.103807 -0.384318 2.053176
H 1.108112 2.131589 2.839556
H 0.202600 3.549492 2.143031
H -4.961535 0.233303 -2.862758
H -6.103948 -0.382061 -0.065141
H 3.183549 3.153795 -3.315732
H 4.084984 3.316857 -1.291850
H 3.908102 1.095453 1.316250
H -4.804737 -0.559583 2.426734
H -1.499783 1.943842 1.691160
H -0.033617 -0.244353 2.163632
H -0.304318 -3.643906 -0.535158
H 2.393770 -0.709768 2.505329
H 2.143001 -4.125310 -0.159808


%chk=000192018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192018

0 1
O -1.871339 0.502173 0.211769
O 0.248206 3.215726 -0.139676
O -0.197081 1.699340 -1.965258
O -3.999558 0.162572 -2.836071
O -5.704745 -1.020998 -0.813909
O 2.544934 4.200479 -1.951693
O 4.172998 2.117717 -1.348194
O -1.735922 -1.889935 0.587667
O 3.208844 1.483946 1.325954
O -4.654910 0.242204 1.386653
O -0.758328 1.869507 2.430891
O 4.473205 -2.325898 2.104236
O 4.127270 -4.310734 1.032924
N 3.714293 -3.170901 1.486528
C -2.191634 0.432195 -1.244728
C -3.720488 0.299139 -1.406999
C -4.249114 -0.935301 -0.646444
C 1.902681 2.870919 -1.997801
C 2.744063 2.007049 -1.037629
C 0.418448 2.960167 -1.559293
C 2.488062 2.396651 0.435151
C -3.862428 -0.871602 0.840862
C 0.986806 2.238362 0.717585
C -1.674404 1.715783 -1.883003
C -2.345797 -0.612649 0.999368
C 0.542180 2.506908 2.152590
C -0.377304 -2.135069 0.866892
C 0.458399 -1.249569 1.591169
C 0.117240 -3.365421 0.364624
C 1.809938 -1.591437 1.789499
C 1.459110 -3.714595 0.577459
C 2.295209 -2.817438 1.284704
H -1.687073 -0.448106 -1.685938
H -4.214616 1.204473 -0.991790
H -3.841238 -1.851800 -1.103736
H 1.942803 2.451549 -3.021446
H 2.489765 0.941707 -1.172189
H -0.083703 3.822170 -2.044181
H 2.805836 3.447639 0.601215
H -4.114994 -1.823979 1.345462
H 0.675767 1.218470 0.423385
H -2.012735 2.582270 -1.282509
H -2.083249 1.780727 -2.907853
H -2.066431 -0.355276 2.037636
H 1.261245 2.061322 2.857744
H 0.485052 3.600181 2.325846
H -4.937885 -0.155054 -2.916875
H -6.101205 -0.387097 -0.156080
H 2.283688 4.736443 -2.739615
H 4.338205 3.080830 -1.542029
H 4.121797 1.364057 0.952024
H -4.649298 0.224201 2.375165
H -1.321658 1.954083 1.614723
H 0.079387 -0.300366 1.984459
H -0.560178 -4.024403 -0.185712
H 2.488141 -0.904828 2.302102
H 1.872946 -4.654902 0.204966


