%chk=000273454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273454

0 1
O -3.562398 1.263316 1.104403
O -1.677591 0.143189 0.350867
O 1.598313 -2.581142 1.002798
O 4.648523 2.932165 -0.620459
O 4.992212 0.861194 -1.149838
O -1.908015 -3.135130 -1.263317
O -0.158803 -4.389350 -0.557876
N 4.321857 1.758394 -0.671352
N -0.179045 -2.011776 -0.372981
C -3.697185 -0.433003 -0.712414
C -3.755760 0.707867 -1.733299
C -3.100516 0.020182 0.617984
C -4.380307 1.959703 -1.105028
C -3.602280 2.355788 0.147782
C -0.858128 0.404367 1.516427
C 0.498627 0.730060 0.943609
C 1.334750 -0.271327 0.417215
C 0.931179 2.066997 0.938450
C 2.591120 0.058545 -0.106881
C 2.175723 2.408813 0.414844
C 2.998845 1.398241 -0.108672
C 0.974865 -1.730890 0.422165
C -0.650960 -3.300045 -0.683732
H -3.108505 -1.286270 -1.118631
H -4.715896 -0.828685 -0.523537
H -4.335539 0.392410 -2.620883
H -2.732626 0.935851 -2.095144
H -3.276388 -0.662900 1.474377
H -4.389141 2.795162 -1.829655
H -5.440143 1.765345 -0.846200
H -4.101088 3.145324 0.736849
H -2.559175 2.636546 -0.079219
H -0.845910 -0.500255 2.154557
H -1.305525 1.243793 2.085561
H 0.283603 2.848623 1.342064
H 3.257158 -0.719353 -0.508858
H 2.519924 3.450647 0.404853
H -0.795192 -1.208144 -0.655277
H -2.279682 -4.007651 -1.567852


%chk=000273454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273454

0 1
O -3.544663 1.393099 1.051600
O -1.750005 0.021036 0.214957
O 2.116928 -2.589094 -0.027951
O 4.710989 3.181326 -0.256946
O 5.165693 1.085077 -1.033408
O -2.026195 -3.362334 -0.755823
O 0.001323 -4.513801 -0.525783
N 4.396523 1.945806 -0.461586
N -0.179767 -2.137778 -0.276286
C -3.976330 -0.366693 -0.674880
C -3.929957 0.709847 -1.783976
C -3.198915 0.072152 0.572323
C -4.369507 2.078778 -1.212033
C -3.496418 2.446403 -0.003000
C -0.852054 0.241231 1.385680
C 0.515079 0.628178 0.857177
C 1.406798 -0.293842 0.223278
C 0.931338 1.973357 1.034856
C 2.686222 0.149272 -0.192443
C 2.191489 2.424999 0.605339
C 3.054318 1.491871 -0.005628
C 1.157060 -1.776404 -0.019044
C -0.626902 -3.441467 -0.514461
H -3.569340 -1.332646 -1.021730
H -5.024993 -0.534141 -0.361807
H -4.583818 0.410644 -2.622929
H -2.900492 0.787432 -2.182738
H -3.376879 -0.588805 1.441884
H -4.279825 2.873366 -1.977276
H -5.431053 2.035013 -0.900148
H -3.851366 3.352949 0.512484
H -2.442164 2.588061 -0.315860
H -0.817746 -0.692472 1.983513
H -1.277282 1.051000 2.002325
H 0.249357 2.675459 1.526593
H 3.384711 -0.561028 -0.643521
H 2.516142 3.460122 0.736866
H -0.911230 -1.387566 -0.303796
H -2.356168 -4.281807 -0.932123


