%chk=000202849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202849

0 1
S 3.074468 1.057038 0.709167
O -6.120316 -1.230572 -0.827636
N 0.319716 -0.238004 0.409403
N -3.998763 -0.472060 0.049250
C -1.005740 -0.884251 0.623048
C -1.743296 -1.207489 -0.689246
C 0.359954 1.178056 0.246341
C 1.431936 -1.064972 0.074204
C -3.190751 -1.638939 -0.425107
C 1.583373 1.878201 0.311572
C 2.750191 -0.565811 0.145752
C -0.821809 1.926005 0.048466
C 1.255332 -2.413368 -0.306255
C 1.642788 3.259431 0.141964
C 3.849625 -1.362098 -0.165283
C -0.759437 3.312938 -0.095000
C 2.362076 -3.214749 -0.592913
C 0.464892 3.985643 -0.060547
C 3.658783 -2.698935 -0.529859
C -5.398569 -0.810210 0.344193
H -0.854145 -1.808758 1.225387
H -1.632376 -0.213847 1.261324
H -1.212808 -2.016418 -1.234070
H -1.709637 -0.335756 -1.372953
H -3.223110 -2.425423 0.361948
H -3.623338 -2.099236 -1.342811
H -1.793687 1.436665 0.019332
H 0.260209 -2.846307 -0.387860
H 2.602742 3.778689 0.174383
H 4.859977 -0.950422 -0.119731
H -3.932514 0.300413 -0.620921
H -1.681624 3.875909 -0.239592
H 2.206969 -4.256194 -0.875857
H 0.503819 5.064530 -0.185443
H 4.513732 -3.328442 -0.762409
H -5.474566 -1.700745 1.004459
H -5.904595 0.063583 0.801823
H -6.322900 -0.488298 -1.421425


%chk=000202849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202849

0 1
S 3.058976 1.078799 0.912138
O -6.257871 -1.242232 -0.111431
N 0.300831 -0.328024 0.353708
N -3.948078 -0.317641 -0.321907
C -1.009642 -1.013059 0.452065
C -1.722932 -1.293902 -0.900442
C 0.297777 1.097709 0.248598
C 1.460250 -1.119470 0.089663
C -3.231374 -1.558591 -0.698860
C 1.491485 1.865670 0.382485
C 2.779345 -0.593255 0.218758
C -0.913264 1.815476 0.023058
C 1.348376 -2.485182 -0.301268
C 1.485281 3.266281 0.235552
C 3.915126 -1.373065 -0.073455
C -0.922833 3.223830 -0.079402
C 2.488314 -3.279371 -0.551046
C 0.275484 3.961238 0.008745
C 3.781921 -2.728273 -0.452072
C -5.147858 -0.433029 0.475352
H -0.860598 -1.960417 1.001242
H -1.675503 -0.390219 1.073886
H -1.269780 -2.162453 -1.413456
H -1.584805 -0.431835 -1.581343
H -3.387056 -2.287562 0.120381
H -3.656044 -2.028837 -1.611116
H -1.863331 1.280551 -0.053673
H 0.364950 -2.943971 -0.417470
H 2.429654 3.814158 0.325972
H 4.908267 -0.920088 0.019773
H -4.000711 0.368195 -1.084302
H -1.877145 3.739247 -0.235521
H 2.354423 -4.328434 -0.836780
H 0.275689 5.051772 -0.084205
H 4.670292 -3.333058 -0.658814
H -4.926708 -0.981640 1.404835
H -5.508339 0.586078 0.719786
H -6.625969 -0.769598 -0.902339


