%chk=000283399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283399

0 1
S -3.021101 -1.836436 0.560207
O -4.050934 -2.642254 -0.060231
O -2.698384 -2.014386 1.948407
O 6.143728 1.290378 -0.479996
O 5.382871 1.745903 1.492048
N -1.621708 -2.333749 -0.394361
N -0.495720 -1.645642 -0.139146
N 5.301626 1.204553 0.400485
C -3.232416 -0.184656 0.180035
C -3.603031 2.527855 -0.435538
C -4.210910 0.199642 -0.747932
C -2.439505 0.791832 0.797936
C -4.397448 1.544947 -1.055470
C -2.621302 2.139908 0.493472
C -3.790179 3.967336 -0.773152
C 1.826333 -1.132248 -0.403208
C 2.827368 -0.994186 -1.385512
C 1.980767 -0.505131 0.847416
C 0.640554 -1.952571 -0.712258
C 4.101025 0.392907 0.124260
C 3.962982 -0.232470 -1.126224
C 3.114560 0.257636 1.114718
H -4.836898 -0.561713 -1.230180
H -1.672748 0.497486 1.524185
H -5.159964 1.836341 -1.776131
H -2.000376 2.892954 0.976748
H -1.639612 -3.170600 -0.997073
H -3.133476 4.259922 -1.608740
H -4.819726 4.201061 -1.079875
H -3.549718 4.633623 0.068051
H 2.712654 -1.478612 -2.355181
H 1.206830 -0.621571 1.610296
H 0.805252 -2.774303 -1.420856
H 4.747716 -0.113849 -1.881644
H 3.247092 0.750193 2.084546


%chk=000283399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000283399

0 1
S -2.915425 -1.789258 0.495146
O -4.012822 -2.801563 -0.146695
O -2.383004 -1.926035 2.021268
O 6.874815 0.377539 -0.142759
O 5.753673 1.792080 1.255620
N -1.462387 -2.034600 -0.751683
N -0.301376 -1.455922 -0.395872
N 5.791107 0.806353 0.418799
C -3.384671 -0.004753 0.177770
C -4.122851 2.653863 -0.261103
C -4.237692 0.272831 -0.901922
C -2.887735 0.970900 1.055568
C -4.603633 1.620059 -1.109754
C -3.270547 2.309621 0.822026
C -4.501971 4.100258 -0.516243
C 2.096268 -1.147608 -0.558879
C 3.320529 -1.576338 -1.149487
C 2.116062 -0.059979 0.365376
C 0.855243 -1.838362 -0.912052
C 4.519954 0.131102 0.083718
C 4.534734 -0.943154 -0.833661
C 3.320495 0.579897 0.689311
H -4.616599 -0.532294 -1.539253
H -2.247205 0.688208 1.896654
H -5.274312 1.870642 -1.939213
H -2.903870 3.095665 1.491634
H -1.520085 -3.007023 -1.123122
H -3.759623 4.588264 -1.177068
H -5.484952 4.181607 -1.011033
H -4.538552 4.682309 0.420591
H 3.315655 -2.410994 -1.860145
H 1.172161 0.260770 0.815236
H 0.921559 -2.670700 -1.637516
H 5.483539 -1.256925 -1.276263
H 3.359718 1.413642 1.395108


