%chk=000198317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198317

0 1
S 1.681591 -0.495491 2.046603
P 2.130335 -0.224439 0.217571
O 3.650544 -0.598376 -0.245315
O 2.055373 1.207001 -0.528463
O 1.434724 -1.412424 -0.846703
O -3.818403 -0.359336 -0.481178
N -0.289592 -0.117970 -0.160517
N -1.554309 0.196333 -0.039409
C 4.203671 -1.909169 0.153117
C 1.484004 2.366331 0.209075
C 4.982771 -2.321948 -1.088186
C 5.080961 -1.660763 1.369591
C 2.620450 3.003676 0.991944
C 0.977587 3.219620 -0.943737
C 0.089187 -1.252935 -0.829253
C -0.826085 -2.153074 -1.429485
C -2.162278 -1.831891 -1.300832
C -2.492963 -0.638521 -0.586691
C -4.186350 0.846016 0.292119
C -5.679505 0.833873 0.232485
C -6.432559 1.766828 0.807954
H 3.384061 -2.630814 0.370434
H 0.647672 2.033194 0.868307
H 5.528503 -3.257323 -0.933005
H 4.311852 -2.449911 -1.948171
H 5.707124 -1.546003 -1.373292
H 5.770685 -2.492027 1.548466
H 4.486578 -1.520865 2.284357
H 5.682264 -0.749921 1.241314
H 2.399463 4.047737 1.241286
H 2.819753 2.482980 1.938710
H 3.555498 2.997161 0.413411
H 0.606848 4.188821 -0.596159
H 0.160900 2.709920 -1.473518
H 1.770853 3.399491 -1.682572
H -0.470899 -3.039050 -1.953618
H -2.959714 -2.447870 -1.716434
H -3.730116 1.723783 -0.201409
H -3.783019 0.735280 1.316481
H -6.101624 -0.009251 -0.324603
H -7.513473 1.758402 0.766250
H -6.039565 2.606722 1.363677


%chk=000198317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198317

0 1
S 2.184110 -0.425474 2.465635
P 2.441029 -0.147902 0.437429
O 3.905400 -0.653613 -0.280087
O 2.404859 1.402647 -0.267748
O 1.388882 -1.216636 -0.590380
O -4.016054 -0.447019 -0.397246
N -0.463082 0.077979 0.031515
N -1.822152 0.291614 0.085461
C 4.474259 -2.010564 0.078586
C 1.624052 2.522662 0.402881
C 4.650902 -2.756083 -1.247321
C 5.776787 -1.757713 0.843714
C 2.596457 3.320693 1.276761
C 1.020697 3.314043 -0.758679
C 0.016261 -1.055459 -0.540035
C -0.814618 -2.066235 -1.105681
C -2.191251 -1.855780 -1.056273
C -2.651178 -0.650728 -0.442529
C -4.486183 0.814003 0.265434
C -5.985697 0.736854 0.321683
C -6.807430 1.721527 -0.116984
H 3.745804 -2.536488 0.727900
H 0.823236 2.053670 1.003403
H 5.077969 -3.759604 -1.064065
H 3.680980 -2.868400 -1.759991
H 5.336293 -2.199523 -1.910017
H 6.270166 -2.718807 1.080270
H 5.576296 -1.223157 1.787649
H 6.465996 -1.150590 0.231290
H 2.063609 4.169229 1.745314
H 3.013990 2.690807 2.081060
H 3.425696 3.721270 0.667659
H 0.456582 4.179236 -0.363980
H 0.331199 2.678503 -1.337771
H 1.814418 3.688169 -1.428824
H -0.369929 -2.957789 -1.552756
H -2.911448 -2.570055 -1.461771
H -4.124993 1.682889 -0.312889
H -4.027480 0.856800 1.272085
H -6.399889 -0.170634 0.781421
H -7.895328 1.647080 -0.014418
H -6.416418 2.632371 -0.587104


