%chk=000287717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287717

0 1
O 5.121842 1.059149 2.086563
O 6.070777 0.356279 0.027737
O -0.094255 -2.061100 0.314804
O -2.708426 -1.398636 -0.805326
O 0.168370 -1.364687 -1.837607
N -1.819138 0.531731 0.072455
C 4.121206 0.898383 1.135842
C 1.964943 0.853822 0.143656
C 4.691787 0.475459 -0.102513
C 2.771106 1.099194 1.292138
C 2.528917 0.441496 -1.066566
C 3.920220 0.241287 -1.217394
C 0.519895 1.087428 0.270345
C 6.378960 0.721389 1.412334
C -0.442240 0.213648 -0.087126
C -4.234530 0.275655 0.016319
C -2.895718 -0.318449 -0.289764
C -0.113562 -1.134657 -0.687170
C -5.114732 0.535386 -1.042204
C -4.616701 0.525389 1.340809
C 0.174286 -3.456742 -0.054960
C -6.380363 1.063259 -0.770944
C -5.885493 1.048479 1.603817
C -6.764628 1.320037 0.549314
C 1.653089 -3.643245 -0.315098
H 2.336794 1.414797 2.235573
H 1.884058 0.260714 -1.933211
H 4.346391 -0.079804 -2.163877
H 0.263866 2.060118 0.701759
H 6.799945 -0.162557 1.908826
H 7.003014 1.624319 1.392413
H -2.024139 1.450643 0.471959
H -4.815052 0.318639 -2.069341
H -3.935692 0.300997 2.162135
H -0.454829 -3.709861 -0.927414
H -0.183505 -3.974950 0.853350
H -7.069070 1.268781 -1.590072
H -6.191279 1.240938 2.631615
H -7.753481 1.728757 0.757973
H 2.261650 -3.246976 0.508382
H 1.965265 -3.113413 -1.228657
H 1.908450 -4.701195 -0.443571


%chk=000287717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287717

0 1
O 5.197877 2.492265 1.899330
O 6.487501 1.077484 0.444557
O -0.853229 -2.322367 -0.266856
O -2.500779 -0.493040 -1.801097
O 0.816176 -1.650949 -1.748413
N -1.526799 0.291354 0.167709
C 4.344182 1.691819 1.096358
C 2.288657 0.776901 0.184033
C 5.104644 0.861697 0.244929
C 2.954512 1.681476 1.085924
C 3.075394 -0.042131 -0.683370
C 4.492114 -0.009497 -0.660106
C 0.820498 0.817782 0.217763
C 6.582167 2.105326 1.519121
C -0.182460 -0.045581 -0.172946
C -3.971122 0.370182 -0.063753
C -2.632002 0.011787 -0.644995
C -0.004860 -1.377502 -0.838277
C -5.033706 0.623748 -0.968910
C -4.217177 0.432497 1.333750
C -0.877481 -3.665897 -0.921832
C -6.314443 0.962202 -0.486860
C -5.502217 0.767212 1.814951
C -6.551102 1.040438 0.906732
C 0.205383 -4.577987 -0.338252
H 2.384083 2.333754 1.754183
H 2.568239 -0.687862 -1.403183
H 5.082319 -0.633068 -1.336122
H 0.439660 1.719225 0.726426
H 7.086775 1.660980 2.394557
H 7.107634 2.989915 1.121066
H -1.674547 0.871474 0.995750
H -4.830705 0.543504 -2.041862
H -3.429080 0.172651 2.050911
H -0.746801 -3.524094 -2.008453
H -1.892869 -4.036138 -0.707885
H -7.127600 1.163307 -1.192669
H -5.688351 0.801573 2.893966
H -7.547148 1.300747 1.281565
H 0.101846 -4.662599 0.757432
H 1.210871 -4.192040 -0.574557
H 0.111947 -5.590646 -0.773310


