%chk=000240652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240652

0 1
S -1.484326 -1.636909 0.332670
S -2.561170 1.207951 0.330669
O -0.892426 -2.096143 -0.908485
O -0.987019 -2.222140 1.565785
O -3.451168 0.918480 1.447811
O -3.097739 1.003398 -1.004204
C -1.185938 0.133691 0.560806
C 0.055303 0.581393 -0.246167
C 1.289230 -0.274710 0.124539
C 2.602310 0.466202 -0.158809
C -0.179077 0.567794 -1.756165
C -3.220119 -1.803387 0.239791
C -1.957044 2.851605 0.485553
C 3.815790 -0.398747 0.210191
C 5.133821 0.336086 -0.066577
C -3.580824 -3.281120 0.209851
C -3.138397 3.811495 0.502697
C 6.346536 -0.530334 0.302129
C 7.662890 0.194069 0.029494
H -0.885595 0.203478 1.647816
H 0.287652 1.635219 0.063253
H 1.256329 -0.575164 1.190458
H 1.272208 -1.230656 -0.447619
H 2.654871 0.742968 -1.230257
H 2.635369 1.417065 0.406027
H -0.263470 -0.467617 -2.142639
H 0.658441 1.026294 -2.291672
H -1.098536 1.074622 -2.073665
H -3.756160 -1.313318 1.092197
H -3.652081 -1.302467 -0.662620
H -1.354148 2.995824 1.405677
H -1.273453 3.127403 -0.346377
H 3.786286 -1.348655 -0.359523
H 3.762134 -0.690393 1.277039
H 5.190149 0.622194 -1.134469
H 5.165677 1.285146 0.501668
H -4.670543 -3.415586 0.162291
H -3.232263 -3.809488 1.110441
H -3.157055 -3.792185 -0.667751
H -2.803334 4.849639 0.631352
H -3.834568 3.594413 1.328943
H -3.714447 3.775420 -0.434626
H 6.292590 -0.818803 1.370217
H 6.317428 -1.479827 -0.267968
H 7.742164 1.120448 0.609287
H 8.521445 -0.433209 0.294723
H 7.765978 0.459459 -1.028783


%chk=000240652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240652

0 1
S -1.499290 -1.753279 0.311288
S -2.720433 1.261869 0.344180
O -0.805615 -2.266430 -1.078573
O -1.024904 -2.420677 1.729268
O -3.673451 0.909732 1.635629
O -3.315435 1.030333 -1.166659
C -1.077847 0.205048 0.607032
C 0.147485 0.693687 -0.159281
C 1.391512 -0.151012 0.274160
C 2.732366 0.471882 -0.175801
C -0.037722 0.752001 -1.697967
C -3.439778 -1.979589 0.128847
C -2.205763 3.152093 0.497725
C 3.948186 -0.344815 0.319171
C 5.301164 0.235143 -0.150402
C -3.711147 -3.478405 0.106495
C -3.496317 3.963183 0.538856
C 6.516663 -0.588408 0.333538
C 7.865828 -0.008287 -0.142740
H -0.988441 0.198425 1.708242
H 0.332799 1.730393 0.211219
H 1.397943 -0.260120 1.377809
H 1.293577 -1.168557 -0.148461
H 2.768620 0.532999 -1.281096
H 2.811042 1.513182 0.203866
H -0.100417 -0.267392 -2.112257
H 0.820841 1.271045 -2.155848
H -0.960393 1.285573 -1.987836
H -3.842263 -1.439160 1.001317
H -3.660789 -1.439778 -0.805697
H -1.615844 3.195641 1.427764
H -1.583535 3.326006 -0.394170
H 3.853077 -1.390590 -0.038894
H 3.933486 -0.394239 1.427842
H 5.313968 0.286087 -1.259369
H 5.401777 1.280673 0.210244
H -4.802894 -3.630083 0.012970
H -3.375775 -3.963817 1.038904
H -3.220867 -3.968222 -0.751877
H -3.244375 5.034431 0.648470
H -4.125276 3.665371 1.395043
H -4.076758 3.838122 -0.390873
H 6.504640 -0.639210 1.441489
H 6.413877 -1.632517 -0.025881
H 8.008149 1.023809 0.230198
H 8.716978 -0.616503 0.214710
H 7.915055 0.025257 -1.247594


