%chk=000214463.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214463

0 1
S -3.510266 -1.439492 -0.063286
O 1.537158 2.235236 0.036107
O -4.757973 -1.007285 -0.654973
O -2.826137 -2.630866 -0.529873
N 0.353564 2.963062 0.040932
N -3.851251 -1.724471 1.597408
C -0.134151 0.717414 -0.019672
C 1.247680 0.871961 -0.002006
C -0.667169 2.089101 0.004173
C -2.382904 -0.133013 -0.042994
C -1.040575 -0.382629 -0.034713
C 2.388757 -0.025455 -0.008898
C -2.090997 2.302273 -0.016971
C -2.907473 1.214635 -0.044211
C 2.268849 -1.314050 -0.559945
C 3.617500 0.394892 0.533748
C 3.368871 -2.173934 -0.557022
C 4.710810 -0.472591 0.531798
C 4.587690 -1.756407 -0.011147
H -0.634673 -1.401862 -0.043718
H -2.463651 3.325815 -0.016001
H -3.997093 1.337010 -0.080575
H 1.324440 -1.639931 -0.997843
H 3.709590 1.398831 0.953867
H 3.276352 -3.173062 -0.983919
H 5.662105 -0.147660 0.953572
H -3.548534 -2.605530 2.006557
H -4.780037 -1.497395 1.945518
H 5.443516 -2.431997 -0.010712


%chk=000214463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214463

0 1
S -3.562598 -1.517988 -0.096093
O 1.565292 2.250430 0.135222
O -4.862710 -1.063066 -0.961736
O -2.685998 -2.850131 -0.437394
N 0.331321 3.042072 0.165562
N -4.181325 -1.624530 1.632257
C -0.115099 0.733644 0.017479
C 1.288565 0.883596 0.042505
C -0.647503 2.089473 0.091159
C -2.362693 -0.075508 -0.013062
C -1.010938 -0.378352 -0.021331
C 2.433596 -0.019731 0.001704
C -2.061955 2.338973 0.079920
C -2.918485 1.245850 0.022897
C 2.288444 -1.367239 -0.437357
C 3.721870 0.446141 0.396194
C 3.403246 -2.228267 -0.466039
C 4.830784 -0.420481 0.362597
C 4.676859 -1.761781 -0.063570
H -0.681388 -1.420352 -0.060668
H -2.438463 3.364335 0.115399
H -4.004815 1.373239 -0.008054
H 1.320317 -1.736064 -0.788140
H 3.836982 1.481985 0.729714
H 3.280124 -3.260311 -0.810728
H 5.815331 -0.053008 0.670562
H -3.690186 -2.388055 2.126068
H -5.205614 -1.757995 1.587828
H 5.541036 -2.434275 -0.087692


