%chk=000220448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220448

0 1
S 0.887849 1.633152 -0.011046
O -0.392185 0.533378 -0.004953
O 0.795793 2.358145 1.233461
O 0.793423 2.347089 -1.261762
C -4.120303 0.297412 -0.001990
C -5.049196 -0.923939 0.004199
C -2.648023 -0.126275 -0.000258
C -6.526310 -0.505605 0.002932
C -1.725599 1.092770 -0.006708
C -7.455573 -1.717284 0.009211
C 2.200448 0.533896 -0.007435
C 2.737340 0.078112 -1.218260
C 2.738964 0.087993 1.206364
C 4.344593 -1.272495 -0.001514
C 3.804015 -0.819311 -1.218381
C 3.805621 -0.809395 1.212366
C 5.493640 -2.222924 0.001798
H -4.332308 0.934554 0.879048
H -4.332736 0.925892 -0.889127
H -4.839612 -1.562802 -0.875399
H -4.838764 -1.554521 0.889546
H -2.420170 -0.764267 -0.877652
H -2.419691 -0.755348 0.883421
H -6.738093 0.132017 0.883621
H -6.738963 0.123517 -0.883647
H -1.846766 1.707728 -0.918243
H -1.845536 1.716396 0.899079
H -8.507235 -1.409416 0.008864
H -7.299214 -2.350854 -0.871275
H -7.297524 -2.343017 0.894986
H 2.323282 0.432346 -2.169877
H 2.326179 0.449985 2.155606
H 4.218454 -1.168317 -2.162576
H 4.221358 -1.150726 2.158794
H 5.503094 -2.877664 -0.881106
H 6.450252 -1.675827 0.004928
H 5.497397 -2.877796 0.884683


%chk=000220448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220448

0 1
S 0.931469 1.686692 0.055074
O -0.420613 0.396159 0.083423
O 0.907470 2.495161 1.460670
O 0.842877 2.493891 -1.349906
C -4.222698 0.259068 -0.039613
C -5.218167 -0.921522 0.030219
C -2.748024 -0.203007 0.053514
C -6.694571 -0.475231 -0.073439
C -1.781019 0.988769 0.011633
C -7.685218 -1.656568 0.012453
C 2.368911 0.490710 0.022895
C 2.864518 0.087176 -1.226378
C 2.900864 0.060838 1.248555
C 4.539379 -1.272021 -0.027709
C 3.960957 -0.802163 -1.237000
C 3.995916 -0.828881 1.207999
C 5.736445 -2.203928 -0.053839
H -4.442640 0.971151 0.782548
H -4.379175 0.814874 -0.987076
H -4.994903 -1.640787 -0.785127
H -5.068329 -1.472623 0.981859
H -2.513042 -0.887827 -0.783409
H -2.586236 -0.766300 0.992097
H -6.912961 0.251760 0.735347
H -6.845107 0.068036 -1.028616
H -1.889687 1.559321 -0.931347
H -1.942042 1.662753 0.875890
H -8.733194 -1.312933 -0.063530
H -7.507811 -2.383385 -0.802755
H -7.574924 -2.196313 0.971940
H 2.417960 0.464980 -2.151447
H 2.482396 0.418666 2.194406
H 4.370145 -1.136143 -2.197112
H 4.432197 -1.184241 2.148396
H 5.763676 -2.805585 -0.978486
H 6.681338 -1.628664 -0.007088
H 5.731744 -2.895283 0.806659


