%chk=000200702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200702

0 1
S -0.566745 -0.961822 -0.116704
P -2.362544 -0.122253 -0.825364
O -3.046927 0.060871 0.657824
O -1.898247 1.355366 -1.345456
O 3.120471 0.527948 0.841558
O -3.090116 -0.869441 -1.861942
O 1.472405 1.947240 0.092052
N 1.874935 -0.225101 -0.885132
N 2.757930 -1.244639 -0.528364
C 0.609759 -0.598465 -1.509551
C -4.386632 -0.485267 0.844182
C -1.490088 2.383545 -0.395960
C 2.009267 0.883438 0.025451
C 3.510158 -0.783123 0.454909
C -4.387574 -2.000389 0.826699
C -2.696465 3.010645 0.272409
C 4.636174 -1.360087 1.191173
H 0.259928 0.246642 -2.150320
H 0.726044 -1.517656 -2.131936
H -4.621614 -0.078719 1.850592
H -5.075248 -0.049273 0.096180
H -0.752695 1.981304 0.326598
H -0.973934 3.088211 -1.082746
H -5.314816 -2.400060 1.256126
H -4.309539 -2.411459 -0.193956
H -3.554036 -2.416117 1.410017
H -2.427093 3.959238 0.754325
H -3.491143 3.225850 -0.454715
H -3.126951 2.362209 1.050213
H 5.603084 -1.067637 0.741681
H 4.596871 -2.464592 1.196977
H 4.650781 -1.015708 2.241479


%chk=000200702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200702

0 1
S -0.802325 -0.979832 0.313496
P -2.493379 0.058715 -0.900676
O -3.720257 0.204673 0.313982
O -1.971900 1.668749 -1.161061
O 3.532794 0.651404 0.156044
O -2.902935 -0.667507 -2.251672
O 1.682798 1.848426 -0.790541
N 1.807273 -0.547125 -0.618650
N 2.732184 -1.485326 -0.074621
C 0.523042 -0.985970 -1.098421
C -4.867009 -0.761923 0.290353
C -1.455935 2.540642 -0.054816
C 2.224623 0.779548 -0.480620
C 3.732610 -0.732881 0.359236
C -4.518035 -2.063329 1.014256
C -2.585053 3.370352 0.553073
C 4.991021 -1.187179 1.005735
H 0.167087 -0.311599 -1.891287
H 0.605650 -2.018029 -1.458960
H -5.664491 -0.204744 0.808672
H -5.164357 -0.940881 -0.759405
H -0.946312 1.906618 0.696014
H -0.695328 3.155002 -0.561002
H -5.412727 -2.712337 1.060465
H -3.720276 -2.616250 0.488126
H -4.184067 -1.860893 2.046228
H -2.161854 4.073763 1.295393
H -3.097678 3.960535 -0.225682
H -3.326353 2.727487 1.057005
H 5.870207 -0.879295 0.412657
H 4.981436 -2.284378 1.092425
H 5.094946 -0.745739 2.012551


