%chk=000291462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291462

0 1
S 0.014689 1.635033 0.189130
O 0.320622 2.555694 -0.902862
O -0.248870 2.249449 1.487865
O -5.853235 -0.333463 0.156207
O 5.766456 -0.588898 -0.343321
O -4.664396 -0.779227 1.900222
O 4.567991 -0.490373 -2.134279
N -4.784442 -0.481166 0.722952
N 4.695389 -0.522184 -0.921051
C -1.337717 0.667650 -0.332300
C 1.308790 0.492332 0.426328
C -2.545552 0.587744 0.381507
C 2.515629 0.538689 -0.292077
C -1.215261 -0.021538 -1.561836
C 1.140213 -0.489890 1.430638
C -3.552186 -0.309445 -0.066253
C 3.468655 -0.498503 -0.105377
C -3.408001 -1.044781 -1.264977
C 3.275997 -1.515887 0.857043
C -2.234671 -0.877630 -2.001618
C 2.108337 -1.485903 1.620616
C -2.867186 1.412085 1.571537
C 2.890495 1.630091 -1.223419
C -0.025427 0.126825 -2.443008
C -0.046122 -0.515435 2.328477
C -4.464004 -1.979582 -1.733527
C 4.275957 -2.597592 1.053400
H -2.113739 -1.415925 -2.942175
H 1.951756 -2.246331 2.386302
H -3.109154 0.798462 2.458686
H -2.069709 2.112012 1.911820
H -3.740977 2.060805 1.392258
H 3.106220 1.261197 -2.242979
H 2.134414 2.436994 -1.361112
H 3.796284 2.160245 -0.884417
H 0.283507 1.189035 -2.562264
H 0.847717 -0.431847 -2.072063
H -0.202819 -0.237121 -3.466823
H -0.945738 -0.907519 1.829426
H 0.103765 -1.146399 3.218157
H -0.297648 0.492549 2.726838
H -5.451434 -1.479137 -1.795277
H -4.262423 -2.399627 -2.728817
H -4.594902 -2.832006 -1.047634
H 4.043911 -3.255338 1.902627
H 4.366019 -3.243001 0.164825
H 5.288499 -2.185942 1.239304


%chk=000291462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291462

0 1
S 0.017049 1.649373 0.191265
O 0.235843 2.687788 -1.052557
O -0.153266 2.324343 1.670465
O -6.133657 0.050239 0.048376
O 6.070531 -0.267182 -0.136832
O -4.997377 -0.696310 1.878703
O 4.908321 -0.440829 -2.090727
N -5.047154 -0.288787 0.655779
N 4.971408 -0.373207 -0.803989
C -1.517678 0.558858 -0.338947
C 1.483604 0.370664 0.399640
C -2.716297 0.573613 0.420380
C 2.688425 0.520836 -0.334655
C -1.368231 -0.136708 -1.571755
C 1.284074 -0.619603 1.402314
C -3.772799 -0.222952 -0.109177
C 3.696875 -0.442106 -0.039719
C -3.701015 -0.959448 -1.315795
C 3.575219 -1.464733 0.931488
C -2.478762 -0.894014 -2.018018
C 2.350018 -1.523893 1.629313
C -2.946691 1.379323 1.687737
C 2.970847 1.619591 -1.345239
C -0.125104 -0.109695 -2.441406
C 0.030617 -0.763251 2.244688
C -4.852588 -1.781634 -1.855805
C 4.677367 -2.458425 1.234158
H -2.382824 -1.448108 -2.958029
H 2.215737 -2.301496 2.389096
H -2.877651 0.726001 2.575910
H -2.212660 2.186871 1.803439
H -3.961636 1.811810 1.690569
H 2.887502 1.225427 -2.373701
H 2.272213 2.459785 -1.245733
H 4.002847 1.992996 -1.231450
H 0.200906 0.927032 -2.632557
H 0.719194 -0.643694 -1.969613
H -0.326844 -0.599542 -3.407258
H -0.826339 -1.120968 1.646107
H 0.196335 -1.493404 3.052822
H -0.256238 0.202240 2.694733
H -5.665376 -1.126855 -2.215456
H -4.515635 -2.415313 -2.691721
H -5.294538 -2.436113 -1.083179
H 4.298142 -3.271324 1.873844
H 5.096096 -2.908155 0.316096
H 5.516890 -1.963840 1.753096


