%chk=000229205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229205

0 1
S 2.068746 2.041480 0.826683
O 1.576470 3.134896 0.027595
O 2.972939 2.318169 1.930587
O -3.248205 -1.285284 2.336155
N 0.724288 1.317587 1.680343
N -0.260825 0.847708 0.873049
N 4.249973 -2.268380 -2.548309
C 2.695353 0.800222 -0.154324
C 2.033795 0.420084 -1.333566
C 3.885575 0.150517 0.212655
C 3.750155 -1.231724 -1.770662
C 2.546700 -0.580935 -2.146222
C 4.423248 -0.852730 -0.579031
C -2.411962 -0.134821 0.476901
C -3.404194 -1.015024 0.992215
C -1.374765 0.386237 1.378642
C -2.483336 0.208048 -0.877266
C -4.418837 -1.534000 0.183450
C -3.496622 -0.306311 -1.697368
C -4.454468 -1.170745 -1.168524
C -4.225372 -2.143120 2.972926
H 1.099897 0.921343 -1.618067
H 4.400510 0.446743 1.136721
H 2.024207 -0.869358 -3.053108
H 5.343471 -1.348002 -0.285378
H 0.606565 1.401514 2.699264
H -1.625881 0.332987 2.449829
H -1.739009 0.890625 -1.294820
H -5.171227 -2.206280 0.580522
H -3.533762 -0.024332 -2.746788
H -5.242030 -1.569362 -1.807573
H 3.864032 -2.455971 -3.456681
H 5.165699 -2.642094 -2.372702
H -4.201830 -3.141541 2.526943
H -5.220734 -1.693109 2.918047
H -3.860264 -2.166536 4.008062


%chk=000229205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229205

0 1
S 2.022754 1.797409 0.936014
O 1.207123 2.946142 0.119910
O 2.991200 2.153595 2.196583
O -3.795962 -0.962749 2.625264
N 0.806717 0.514433 1.763184
N -0.249674 0.201316 0.956644
N 4.977977 -1.616708 -3.078866
C 2.918307 0.734123 -0.289441
C 2.500664 0.764254 -1.632269
C 3.997865 -0.049402 0.158277
C 4.294263 -0.837295 -2.154196
C 3.194301 -0.023233 -2.566052
C 4.687843 -0.834523 -0.779647
C -2.513041 -0.598384 0.628251
C -3.754332 -0.997481 1.221036
C -1.401021 -0.180524 1.484518
C -2.409104 -0.613575 -0.788996
C -4.847009 -1.391698 0.413166
C -3.493994 -1.003707 -1.597155
C -4.713150 -1.392919 -0.993307
C -5.044884 -1.350938 3.284219
H 1.664573 1.404034 -1.931366
H 4.297474 -0.028277 1.210829
H 2.889041 -0.013884 -3.618663
H 5.535559 -1.448889 -0.455356
H 0.626916 0.885461 2.726079
H -1.562296 -0.223941 2.574968
H -1.454374 -0.308957 -1.229204
H -5.796153 -1.694769 0.864493
H -3.394762 -1.005889 -2.687528
H -5.562865 -1.698746 -1.613769
H 4.708008 -1.622349 -4.058379
H 5.764364 -2.194449 -2.795738
H -5.309456 -2.401667 3.056622
H -5.877980 -0.684093 2.989434
H -4.846591 -1.243217 4.360642


