%chk=000201488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201488

0 1
S 3.899868 0.838528 0.389112
O -1.960615 0.320109 0.721806
O -2.359457 -1.156277 -1.012583
N -4.088174 -0.027066 0.109797
N 4.915852 -1.629814 -0.609658
C 0.001478 0.888391 -0.653936
C -0.575958 0.358105 0.518748
C 1.400554 0.990597 -0.685100
C 0.177289 -0.059398 1.623199
C 2.156955 0.587232 0.417785
C -0.828582 1.311561 -1.813343
C 1.567018 0.061927 1.570062
C -2.779535 -0.408601 -0.164090
C -5.183389 -0.915318 -0.339928
C 4.467528 -0.644662 -0.208670
H 1.890600 1.388138 -1.577402
H -0.324841 -0.466066 2.500058
H -0.269692 1.910230 -2.543788
H -1.220415 0.425935 -2.350297
H -1.697664 1.908209 -1.499181
H 2.174966 -0.256386 2.419266
H -4.270972 0.532309 0.943724
H -4.890916 -1.462038 -1.258481
H -6.065405 -0.296930 -0.584018
H -5.465892 -1.659514 0.423318


%chk=000201488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201488

0 1
S 4.016133 -0.066952 0.784631
O -2.024571 0.547130 0.667985
O -2.467368 -1.396275 -0.636122
N -4.172515 0.004444 0.190029
N 4.947532 0.668744 -1.899731
C 0.098755 0.562126 -0.606102
C -0.612031 0.355960 0.604363
C 1.510225 0.436370 -0.561789
C 0.041378 0.050628 1.813721
C 2.162787 0.125839 0.645558
C -0.608375 0.906011 -1.899334
C 1.446065 -0.065910 1.846238
C -2.875004 -0.397043 -0.002745
C -5.308640 -0.743551 -0.356016
C 4.533086 0.375546 -0.813241
H 2.083171 0.590133 -1.482816
H -0.552720 -0.089882 2.721299
H 0.103543 1.274704 -2.655853
H -1.119134 0.013855 -2.305805
H -1.379956 1.680581 -1.738276
H 1.956366 -0.299616 2.786222
H -4.324647 0.847800 0.743897
H -4.913165 -1.614057 -0.902708
H -5.896583 -0.122702 -1.056583
H -5.973731 -1.104679 0.449577


