%chk=000282658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282658

0 1
S 0.541055 0.793172 1.566451
O -3.527481 0.227035 -1.482000
O 0.585560 -2.030138 0.929921
O -3.040691 3.855504 -0.494283
O 6.033816 0.420107 -2.206255
O 6.854847 1.281033 -0.400298
N -1.791490 1.980560 -0.173729
N 5.931049 0.834609 -1.062221
C -1.658324 0.598193 -0.030547
C -2.793376 -1.698051 -0.312001
C -1.688962 -2.308459 0.309173
C -0.620296 -0.035319 0.571835
C -2.759911 -0.260056 -0.684516
C -0.462302 -1.506827 0.628064
C -3.930789 -2.455212 -0.614409
C -1.727770 -3.667021 0.627265
C -0.582558 2.800894 -0.471851
C -3.970437 -3.816664 -0.283635
C -2.874291 -4.420099 0.334045
C -3.039281 2.716326 -0.088366
C 2.087070 0.732200 0.732877
C 2.244902 0.253746 -0.570963
C 3.172097 1.240317 1.463712
C -4.199813 2.049482 0.571240
C 3.508453 0.281366 -1.161680
C 4.434035 1.273011 0.876321
C 4.595256 0.797177 -0.437471
H -4.780069 -1.981720 -1.115236
H -0.858116 -4.135147 1.100581
H 0.189160 2.213621 -0.991787
H -0.158014 3.232200 0.451843
H -0.870006 3.643655 -1.135365
H -4.860085 -4.403807 -0.517027
H -2.902925 -5.481460 0.587484
H 1.402423 -0.162692 -1.123627
H 3.041982 1.600105 2.486660
H -3.932459 1.321783 1.346255
H -4.842743 2.810766 1.049569
H -4.838575 1.543571 -0.177449
H 3.662471 -0.093972 -2.179745
H 5.301087 1.661508 1.422664


%chk=000282658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282658

0 1
S 0.463722 1.625389 1.154570
O -4.012777 0.245954 -1.102612
O 0.630896 -1.418738 1.298717
O -3.651889 4.028397 -0.248335
O 6.147465 -0.654599 -1.846437
O 6.982464 -0.046588 0.189268
N -2.218515 2.208301 -0.295697
N 6.010269 -0.181796 -0.651180
C -1.928111 0.845444 -0.048476
C -2.682875 -1.603787 -0.311146
C -1.450350 -2.031478 0.252238
C -0.711673 0.407877 0.469500
C -2.964994 -0.155602 -0.509069
C -0.423546 -1.041409 0.699062
C -3.650510 -2.560716 -0.703368
C -1.190306 -3.413552 0.411604
C -1.331940 3.009143 -1.183213
C -3.387499 -3.936502 -0.540872
C -2.155883 -4.363038 0.016570
C -3.399473 2.859549 0.156940
C 2.099687 0.996609 0.597349
C 2.295306 0.499703 -0.713601
C 3.186311 1.121832 1.495160
C -4.269622 2.157303 1.186326
C 3.579045 0.101595 -1.125331
C 4.477855 0.741615 1.085409
C 4.655882 0.230707 -0.219136
H -4.590613 -2.205303 -1.136566
H -0.234356 -3.716593 0.849377
H -0.592251 2.345997 -1.655829
H -0.810502 3.802129 -0.622674
H -1.962807 3.484483 -1.952964
H -4.134125 -4.676253 -0.847431
H -1.953589 -5.431810 0.141549
H 1.451927 0.420007 -1.407016
H 3.019841 1.491413 2.511303
H -3.742689 1.362578 1.740400
H -4.631971 2.917713 1.896456
H -5.144832 1.714021 0.682271
H 3.763982 -0.293810 -2.127409
H 5.337545 0.819114 1.755792


