%chk=000251447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251447

0 1
S 2.203201 0.615993 -1.291245
P 3.418617 -0.223495 -0.048689
O -3.717251 -0.129008 -1.517811
O -4.686543 -0.668579 0.456743
N 4.464792 -1.464580 -0.736385
N 4.549509 0.901615 0.706486
N 2.670760 -1.083929 1.299159
C 5.862462 -1.156432 -1.177017
C 4.787500 -1.458173 -2.196846
C 4.144367 2.321755 0.940906
C 4.349581 1.383372 2.109404
C 1.325605 -1.547714 1.023030
C 0.256165 -0.645803 1.167061
C 1.081236 -2.892454 0.694261
C -1.050200 -1.097945 0.982894
C -0.231160 -3.330533 0.513453
C -1.304915 -2.439396 0.656392
C -2.717831 -2.921921 0.466613
C -3.368320 -2.324749 -0.788167
C -4.003613 -0.995341 -0.483825
C -4.183923 1.249102 -1.402458
C -3.165629 2.079683 -0.672686
C -1.797039 1.825454 -0.837803
C -3.588265 3.127066 0.158369
C -0.855312 2.619650 -0.178703
C -2.641648 3.921120 0.811783
C -1.275885 3.669650 0.643670
H 6.600577 -1.920741 -0.906589
H 6.290998 -0.151924 -1.087994
H 4.414136 -0.680187 -2.874644
H 4.736630 -2.444077 -2.675147
H 4.913411 3.059565 0.680007
H 3.146960 2.697733 0.683298
H 3.501975 1.056261 2.722431
H 5.268185 1.434203 2.706105
H 3.262072 -1.853210 1.689285
H 0.439101 0.398686 1.420920
H 1.906936 -3.590664 0.569585
H -1.879313 -0.395150 1.094823
H -0.415326 -4.372173 0.254989
H -3.325850 -2.670642 1.366810
H -2.749011 -4.028727 0.398647
H -2.620275 -2.220750 -1.607141
H -4.152093 -3.006438 -1.182007
H -4.272549 1.542427 -2.467014
H -5.176683 1.253250 -0.914039
H -1.470819 1.001381 -1.476152
H -4.649368 3.321015 0.302277
H 0.209126 2.416720 -0.314179
H -2.969964 4.734997 1.455443
H -0.542119 4.290636 1.152498


%chk=000251447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251447

0 1
S 2.850747 1.732768 -0.810209
P 3.608629 -0.086159 -0.085994
O -4.110891 -0.472842 -1.198499
O -4.565726 -0.102890 1.058759
N 4.993983 -0.817257 -0.968491
N 4.283783 -0.033206 1.586629
N 2.621360 -1.508240 -0.127649
C 6.202495 0.060196 -1.237027
C 5.275508 -0.315349 -2.375016
C 4.661102 1.324966 2.159027
C 3.423941 0.615996 2.664809
C 1.270116 -1.717319 0.252528
C 0.384515 -0.662319 0.597071
C 0.791469 -3.054674 0.294331
C -0.940005 -0.951137 0.986178
C -0.536733 -3.323014 0.680540
C -1.429654 -2.282108 1.039926
C -2.865114 -2.597501 1.439006
C -3.901126 -2.352417 0.297597
C -4.224657 -0.876397 0.131595
C -4.368172 0.992736 -1.470437
C -3.172786 1.846098 -1.107207
C -1.982764 1.775151 -1.876278
C -3.223260 2.715446 0.010874
C -0.855960 2.549213 -1.525856
C -2.102108 3.505309 0.353013
C -0.914923 3.418880 -0.410704
H 7.158569 -0.453922 -1.105174
H 6.170863 1.103176 -0.896430
H 4.617746 0.472359 -2.766131
H 5.554695 -1.107909 -3.074613
H 5.584958 1.309335 2.744422
H 4.499817 2.202634 1.518080
H 2.455249 1.038969 2.370806
H 3.440027 0.078586 3.617097
H 3.169345 -2.340622 -0.368776
H 0.715195 0.379588 0.531852
H 1.463501 -3.882799 0.035601
H -1.602195 -0.117822 1.251109
H -0.881424 -4.364338 0.712785
H -3.175941 -1.992193 2.311260
H -2.936334 -3.659775 1.737710
H -3.545595 -2.768346 -0.658767
H -4.848868 -2.860104 0.565235
H -4.570119 0.990655 -2.553455
H -5.268102 1.294694 -0.907605
H -1.933960 1.093995 -2.734312
H -4.131886 2.752440 0.621993
H 0.071512 2.464154 -2.101438
H -2.150822 4.174794 1.219301
H -0.036999 4.015120 -0.138267


