%chk=000250363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250363

0 1
S 0.000009 -1.925420 0.001846
N 0.000005 1.196917 0.002444
C 1.261364 0.562316 0.001370
C -1.261354 0.562315 0.001470
C 1.388834 -0.863645 0.001035
C -1.388819 -0.863648 0.000944
C 3.694716 0.752312 0.000046
C -3.694707 0.752305 0.000113
C 3.811820 -0.663499 -0.000214
C -3.811808 -0.663507 -0.000507
C 2.401816 1.352757 0.000815
C -2.401807 1.352753 0.001098
C 2.623475 -1.459711 0.000254
C -2.623458 -1.459716 -0.000047
C 4.886334 1.546968 -0.000496
C -4.886326 1.546957 -0.000321
C 5.111085 -1.259943 -0.000947
C -5.111070 -1.259955 -0.001558
C 6.120664 0.946637 -0.001199
C -6.120655 0.946622 -0.001355
C 6.236823 -0.474033 -0.001404
C -6.236811 -0.474046 -0.001981
H 0.000005 2.217801 0.002797
H 2.337125 2.437661 0.000959
H -2.337119 2.437657 0.001468
H 2.727597 -2.547521 -0.000023
H -2.727580 -2.547526 -0.000561
H 4.791337 2.631112 -0.000298
H -4.791335 2.631102 0.000147
H 5.187922 -2.346628 -0.001089
H -5.187904 -2.346640 -0.002052
H 7.031244 1.544984 -0.001584
H -7.031237 1.544969 -0.001714
H 7.229909 -0.919041 -0.001924
H -7.229894 -0.919061 -0.002831


%chk=000250363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250363

0 1
S 0.000008 -2.061162 0.002250
N 0.000005 1.119069 0.002284
C 1.270602 0.514355 0.001408
C -1.270592 0.514352 0.001345
C 1.425171 -0.919462 0.001060
C -1.425157 -0.919465 0.000931
C 3.733487 0.765813 0.000150
C -3.733478 0.765805 -0.000015
C 3.881320 -0.673306 -0.000238
C -3.881307 -0.673315 -0.000520
C 2.417154 1.322867 0.000907
C -2.417146 1.322861 0.000845
C 2.699846 -1.484027 0.000201
C -2.699831 -1.484033 -0.000055
C 4.912461 1.583728 -0.000308
C -4.912453 1.583717 -0.000469
C 5.195463 -1.244930 -0.001043
C -5.195448 -1.244942 -0.001455
C 6.183280 1.001055 -0.001107
C -6.183271 1.001041 -0.001381
C 6.327851 -0.424643 -0.001479
C -6.327838 -0.424657 -0.001883
H 0.000003 2.139972 0.002696
H 2.304926 2.415464 0.001096
H -2.304920 2.415459 0.001122
H 2.810677 -2.575413 -0.000086
H -2.810660 -2.575419 -0.000401
H 4.801992 2.675363 -0.000032
H -4.801987 2.675352 -0.000090
H 5.299289 -2.336984 -0.001322
H -5.299271 -2.336996 -0.001821
H 7.079425 1.631848 -0.001464
H -7.079416 1.631832 -0.001721
H 7.330970 -0.865290 -0.002105
H -7.330956 -0.865307 -0.002597


