%chk=000206582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206582

0 1
S 3.241484 0.511873 -0.678892
O 0.592367 0.598173 0.182762
O -4.854787 0.247580 -0.624391
O -1.112096 -2.939603 0.883170
N 0.720669 -2.068466 -0.118452
C 1.238116 1.894274 0.381657
C -0.772544 0.569580 -0.016275
C 2.660051 1.502719 0.733739
C -1.344537 -0.718040 0.039031
C -1.553394 1.711514 -0.272703
C -2.725347 -0.849443 -0.159660
C -3.493204 0.291248 -0.415217
C -2.922360 1.575352 -0.476517
C 4.962407 0.130141 -0.194237
C -0.589056 -1.979205 0.331699
C 5.539666 -0.699244 -1.321133
H 1.159823 2.472787 -0.557708
H 0.731471 2.425300 1.208258
H 2.692177 0.902136 1.663924
H 3.295103 2.393893 0.886609
H -1.102968 2.699075 -0.323737
H -3.179021 -1.842168 -0.095427
H -3.558371 2.436494 -0.680688
H 5.531588 1.065917 -0.046812
H 4.973655 -0.421337 0.763528
H 4.988853 -1.638112 -1.474891
H 5.536283 -0.160815 -2.280001
H 6.583752 -0.972569 -1.112455
H 1.244228 -1.262296 -0.446217
H 1.265713 -2.881066 0.126666
H -5.206521 -0.673694 -0.547727


%chk=000206582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206582

0 1
S 3.403265 0.269707 -0.816170
O 0.521814 0.492196 0.235087
O -5.082994 0.397098 -0.420114
O -1.574903 -3.203692 0.095524
N 0.509235 -2.190306 0.085362
C 1.246429 1.769757 0.199728
C -0.878380 0.488152 0.043190
C 2.711437 1.459012 0.485726
C -1.529331 -0.780235 -0.005354
C -1.631102 1.682039 -0.080769
C -2.936705 -0.805384 -0.155629
C -3.684201 0.383035 -0.268546
C -3.029466 1.633612 -0.237781
C 5.221970 0.303896 -0.268547
C -0.866316 -2.143627 0.071003
C 6.037126 -0.642573 -1.161219
H 1.119560 2.244279 -0.794103
H 0.850303 2.448954 0.982511
H 2.822136 0.998382 1.482302
H 3.294566 2.396664 0.446996
H -1.140068 2.658761 -0.057258
H -3.401476 -1.800026 -0.180354
H -3.619173 2.549588 -0.335295
H 5.582431 1.344392 -0.352654
H 5.263779 -0.008427 0.789823
H 5.669720 -1.681053 -1.083309
H 5.984779 -0.337311 -2.221273
H 7.099255 -0.631942 -0.854753
H 1.074686 -1.336584 0.062287
H 0.945240 -3.111201 0.103922
H -5.440413 -0.525165 -0.432431


