%chk=000267323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267323

0 1
S 2.738556 -2.297776 -0.186699
O 0.217166 -2.293371 0.427086
O 0.063910 0.090257 -1.712426
O -2.938286 -0.479115 0.766954
O 2.693865 2.210347 0.937510
O -1.568627 1.647319 -1.910030
O -1.964470 1.001159 2.169539
N 1.087700 0.755633 1.659288
C 1.155471 -0.058740 0.433943
C -0.217076 -0.038593 -0.291690
C -0.840343 -1.425765 -0.054200
C 1.393976 -1.545136 0.778025
C -1.905468 -1.455963 1.055168
C 1.875829 1.917093 1.789282
C 2.056361 -2.367135 -1.881016
C -0.681067 1.015801 -2.431575
C 1.633242 2.693994 3.049084
C 3.184785 -2.837317 -2.770783
C -0.187113 1.037213 -3.830890
C -2.847854 0.759891 1.374719
C -3.926083 1.633394 0.856099
H 1.964745 0.353549 -0.240464
H -0.861912 0.812966 0.019901
H -1.195554 -1.896697 -0.995450
H 1.597200 -1.742904 1.852853
H -1.466875 -1.279528 2.054844
H -2.462663 -2.411516 1.057578
H 0.289067 0.591784 2.278960
H 1.676538 -1.369206 -2.178309
H 1.195469 -3.062709 -1.893233
H 0.583220 2.999771 3.161852
H 2.243758 3.611739 3.049937
H 1.910145 2.121939 3.945746
H 4.039967 -2.146147 -2.760007
H 3.564325 -3.826385 -2.475847
H 2.852253 -2.922274 -3.814226
H 0.280907 2.010443 -4.061519
H -1.014821 0.899557 -4.545328
H 0.568065 0.258354 -4.028917
H -4.839915 1.074082 0.598278
H -4.189265 2.423586 1.575470
H -3.591825 2.129805 -0.078907


%chk=000267323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267323

0 1
S 2.669625 -2.467412 0.245290
O -0.051419 -2.371601 -0.094929
O -0.182319 0.130530 -1.955750
O -3.150700 -0.461673 0.910535
O 2.989878 1.684756 0.763701
O -1.970638 1.631037 -2.103987
O -1.902448 0.999552 2.230187
N 0.951432 0.755088 1.406492
C 0.889696 -0.138251 0.249833
C -0.464811 -0.043446 -0.501791
C -1.155644 -1.405232 -0.281632
C 1.038184 -1.654617 0.630750
C -2.053696 -1.467178 0.977419
C 2.013933 1.638243 1.573035
C 2.857702 -1.992248 -1.587762
C -1.017398 1.028494 -2.647567
C 1.924781 2.532111 2.804303
C 3.814489 -2.982324 -2.267166
C -0.571317 1.153564 -4.085052
C -2.942013 0.753350 1.566169
C -4.085019 1.702642 1.319555
H 1.707576 0.175059 -0.420669
H -1.069134 0.817933 -0.182055
H -1.718884 -1.723573 -1.173455
H 0.925968 -1.787119 1.723683
H -1.466567 -1.306284 1.898402
H -2.563296 -2.440678 1.021547
H 0.119215 0.832670 2.005368
H 3.244992 -0.960623 -1.635419
H 1.848180 -2.033714 -2.028745
H 0.953740 2.462063 3.323265
H 2.102134 3.578167 2.503119
H 2.727527 2.254572 3.510234
H 4.809585 -2.979523 -1.786709
H 3.415001 -4.010610 -2.228157
H 3.952346 -2.702661 -3.328425
H 0.375136 1.721855 -4.129651
H -1.337477 1.684662 -4.667837
H -0.379182 0.158946 -4.519622
H -5.047720 1.168335 1.310072
H -4.087345 2.495731 2.081245
H -3.946791 2.162806 0.322777


