%chk=000286881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286881

0 1
S 2.209848 0.993445 0.617034
O 2.425525 1.753860 1.828568
O 1.831083 1.663627 -0.614463
O -1.397360 2.236403 1.666823
O -4.911961 -1.533535 -2.077193
O -5.869766 -0.089130 0.204451
N 0.984666 -0.176317 1.007988
C 0.533240 -1.071094 -0.083555
C -0.338110 -0.390775 -1.151846
C -0.072063 0.275044 1.928881
C -1.777311 -0.309385 -0.738463
C -2.175266 0.392807 0.406254
C -1.220661 1.092852 1.315139
C 3.575461 -0.010982 0.291875
C -2.750657 -0.933016 -1.536803
C -3.540742 0.503838 0.734718
C -4.107627 -0.847930 -1.206205
C -4.506337 -0.110109 -0.053531
C 4.070934 -0.112530 -1.013599
C 4.207871 -0.699410 1.332548
C 5.182692 -0.908936 -1.282706
C 5.320862 -1.499044 1.070572
C 5.816114 -1.610047 -0.240333
C 7.016320 -2.449743 -0.521076
C -6.349280 -1.472911 -1.881634
C -6.342146 0.917875 1.133517
H -0.023138 -1.925738 0.369542
H 1.437206 -1.516116 -0.559632
H -0.229911 -0.932120 -2.113423
H 0.044422 0.639844 -1.377165
H 0.402526 0.891199 2.741253
H -0.513712 -0.615018 2.437868
H -2.469212 -1.487317 -2.431867
H -3.823620 1.088928 1.611228
H 3.585801 0.442098 -1.826996
H 3.834810 -0.610076 2.358349
H 5.564966 -0.981411 -2.299189
H 5.809193 -2.031200 1.884814
H 7.103521 -3.304375 0.164426
H 7.019077 -2.856420 -1.542005
H 7.938427 -1.856122 -0.410853
H -6.695792 -0.438341 -1.969560
H -6.612491 -1.893380 -0.904374
H -6.713195 -2.097157 -2.705264
H -5.995269 0.688093 2.145048
H -7.429985 0.800142 1.055184
H -6.029754 1.916629 0.813755


%chk=000286881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286881

0 1
S 2.171106 0.992116 0.274962
O 2.364084 2.050248 1.497020
O 1.780131 1.512923 -1.229867
O -1.824623 1.669852 2.374657
O -5.178591 -1.442157 -2.107833
O -6.069037 0.079777 0.224035
N 0.988471 -0.323457 0.977953
C 0.529947 -1.282120 -0.049359
C -0.486451 -0.759247 -1.093552
C 0.028544 0.243403 1.936907
C -1.915273 -0.556345 -0.614234
C -2.293006 0.187356 0.547326
C -1.382964 0.781536 1.578130
C 3.728935 -0.051250 0.096653
C -2.947297 -1.045639 -1.446021
C -3.679097 0.416608 0.796253
C -4.321364 -0.836404 -1.192705
C -4.694520 -0.084844 -0.030143
C 4.166885 -0.363111 -1.198585
C 4.421938 -0.425475 1.260113
C 5.361248 -1.109199 -1.327138
C 5.611015 -1.167899 1.104172
C 6.096270 -1.521088 -0.185690
C 7.390944 -2.299340 -0.331048
C -6.556146 -0.952094 -2.323640
C -6.439757 0.865119 1.406263
H 0.106983 -2.141446 0.509052
H 1.430123 -1.655190 -0.574541
H -0.500498 -1.484084 -1.929227
H -0.086340 0.185972 -1.510792
H 0.539217 1.062709 2.477119
H -0.155654 -0.558517 2.686283
H -2.701815 -1.604046 -2.355410
H -3.915965 1.006886 1.686360
H 3.602524 -0.013435 -2.069481
H 4.050279 -0.138209 2.248405
H 5.727049 -1.367211 -2.327343
H 6.172492 -1.474409 1.994423
H 7.418283 -3.169125 0.349980
H 7.531386 -2.667538 -1.361209
H 8.262187 -1.664131 -0.081437
H -6.563301 0.139654 -2.487337
H -7.203295 -1.199439 -1.468769
H -6.886850 -1.477004 -3.233112
H -6.069119 0.389150 2.334100
H -7.539608 0.878372 1.406925
H -6.050272 1.898771 1.339479


