%chk=000214232.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214232

0 1
S 5.121085 0.613463 0.952802
O -0.441337 -1.223298 -2.378097
O 5.135874 2.004027 1.370469
O 5.454444 -0.428141 1.907728
N -3.921009 0.256626 -0.452592
C -5.098744 0.413881 -1.370189
C -4.334139 -0.353212 0.855048
C -6.153593 1.320188 -0.713707
C -5.377016 0.543104 1.543395
C -6.598862 0.758667 0.642051
C -2.844098 -0.554457 -1.106706
C -1.490860 -0.119646 -0.518147
C -0.330473 -0.614717 -1.339504
C 1.026940 -0.298627 -0.758693
C 1.489871 1.021883 -0.735861
C 1.813893 -1.339249 -0.251937
C 3.547282 0.261374 0.289410
C 2.754529 1.298679 -0.206031
C 3.075124 -1.052714 0.280560
C 6.188911 0.448210 -0.427923
H -5.557367 -0.558745 -1.650007
H -4.736793 0.888515 -2.308341
H -3.430141 -0.429199 1.496511
H -4.738514 -1.382046 0.738974
H -7.019438 1.432890 -1.390712
H -5.729045 2.334878 -0.574188
H -4.916901 1.522211 1.785777
H -5.678951 0.091686 2.505496
H -7.312226 1.451112 1.125809
H -7.142647 -0.194330 0.501031
H -2.837175 -0.361977 -2.204420
H -2.975654 -1.651156 -0.990976
H -1.463842 0.993227 -0.448997
H -1.392497 -0.458243 0.533702
H 0.874469 1.831026 -1.128305
H 1.449492 -2.366558 -0.276506
H 3.112954 2.333988 -0.166974
H 3.684013 -1.861294 0.701089
H 7.237979 0.658934 -0.166188
H 6.198812 -0.561722 -0.856939
H 5.955450 1.137163 -1.249312


%chk=000214232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214232

0 1
S 5.434148 0.288388 0.783487
O -0.569800 -2.077901 -1.628553
O 5.335681 1.257386 2.099138
O 6.262676 -1.122405 0.782107
N -3.993728 0.235272 -0.520599
C -5.189844 0.059282 -1.388041
C -4.368709 0.191224 0.917531
C -6.235724 1.159871 -1.120394
C -5.393662 1.291229 1.263017
C -6.648326 1.173109 0.368998
C -2.916094 -0.725823 -0.861815
C -1.544596 -0.236019 -0.361638
C -0.381814 -1.082375 -0.869905
C 1.023662 -0.709287 -0.454930
C 1.303352 0.438687 0.334520
C 2.088984 -1.555710 -0.867910
C 3.650078 -0.101189 0.246732
C 2.631680 0.753520 0.695345
C 3.420528 -1.261208 -0.512475
C 6.144817 1.352971 -0.643261
H -5.665077 -0.944580 -1.223476
H -4.859735 0.097507 -2.442955
H -3.459179 0.326963 1.531574
H -4.799678 -0.811506 1.183532
H -7.117069 0.994257 -1.769413
H -5.797095 2.139727 -1.391584
H -4.920150 2.279913 1.106822
H -5.666881 1.214631 2.333130
H -7.348338 2.005668 0.571193
H -7.186218 0.232639 0.610256
H -2.870751 -0.822851 -1.961374
H -3.117218 -1.751766 -0.466333
H -1.409864 0.815580 -0.688649
H -1.506716 -0.213751 0.746215
H 0.492432 1.090409 0.673500
H 1.842717 -2.441549 -1.462264
H 2.873991 1.612856 1.329761
H 4.252147 -1.920189 -0.783808
H 7.174054 1.581815 -0.333209
H 6.112698 0.736250 -1.551701
H 5.522424 2.255356 -0.713972


