%chk=000245825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245825

0 1
S 3.876563 -1.768551 -0.321857
O 2.798402 0.641618 -0.704974
O 4.027205 2.345976 -1.284328
C -3.805767 -0.608838 -0.254524
C -2.462127 -0.067027 0.251606
C -4.984405 0.179334 0.332742
C -1.283766 -0.855341 -0.336101
C -6.328454 -0.362566 -0.172351
C 0.057218 -0.311564 0.172345
C -7.507276 0.425621 0.414565
C 1.236157 -1.100184 -0.417801
C -8.851123 -0.116195 -0.090492
C 2.562116 -0.541373 0.067183
C -10.031321 0.671215 0.496062
C 5.280478 -0.784786 0.058555
C -11.371633 0.136341 -0.003557
C 5.218325 0.599523 -0.139875
C 4.038243 1.273208 -0.733221
C 6.437183 -1.402878 0.531456
C 6.344436 1.382119 0.166545
C 7.553836 -0.612494 0.826409
C 7.505047 0.775822 0.652922
H -3.902856 -1.680392 0.005917
H -3.837417 -0.563329 -1.360445
H -2.366122 1.004659 -0.011486
H -2.431867 -0.109622 1.357392
H -4.888575 1.250767 0.070324
H -4.953075 0.136299 1.438489
H -1.315171 -0.806247 -1.442474
H -1.382061 -1.927382 -0.077989
H -6.360384 -0.318530 -1.278175
H -6.425025 -1.433908 0.089205
H 0.160550 0.759741 -0.101502
H 0.085612 -0.349529 1.278085
H -7.411120 1.496935 0.152276
H -7.475660 0.382326 1.520296
H 1.195578 -1.048876 -1.530020
H 1.142748 -2.174699 -0.156122
H -8.884485 -0.072762 -1.196090
H -8.948885 -1.187448 0.170358
H 2.588390 -0.266805 1.142669
H -10.000472 0.627029 1.602327
H -9.935821 1.743095 0.233755
H -11.450447 0.201086 -1.094737
H -11.515365 -0.914284 0.273005
H -12.207369 0.704429 0.419878
H 6.475470 -2.483383 0.675787
H 6.305002 2.464328 0.009022
H 8.466050 -1.082437 1.197253
H 8.376938 1.385258 0.889899


%chk=000245825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245825

0 1
S 4.047553 -1.891721 -0.591937
O 2.795737 0.587804 -0.737495
O 3.937989 2.560222 -0.840980
C -3.816396 -0.684433 -0.211842
C -2.436634 -0.135074 0.215037
C -4.999288 0.165586 0.304104
C -1.254866 -0.984686 -0.303741
C -6.379066 -0.376701 -0.131989
C 0.121906 -0.414862 0.104584
C -7.562282 0.475917 0.379347
C 1.290669 -1.282576 -0.419173
C -8.942101 -0.062815 -0.061211
C 2.656359 -0.709117 -0.057188
C -10.124934 0.792891 0.447152
C 5.384647 -0.765418 -0.057856
C -11.499585 0.247218 0.003587
C 5.199501 0.649008 -0.039255
C 3.973988 1.349684 -0.539318
C 6.633328 -1.321074 0.308690
C 6.275847 1.477608 0.383464
C 7.690148 -0.481464 0.717373
C 7.510127 0.923068 0.765224
H -3.927077 -1.726586 0.155060
H -3.861318 -0.738913 -1.319799
H -2.326859 0.905987 -0.153594
H -2.390983 -0.079067 1.322858
H -4.884984 1.208776 -0.058210
H -4.958999 0.216120 1.412503
H -1.309678 -1.048997 -1.410421
H -1.356396 -2.023578 0.075212
H -6.417852 -0.428770 -1.240372
H -6.495293 -1.419405 0.231562
H 0.232439 0.613666 -0.287263
H 0.177619 -0.344839 1.210990
H -7.444252 1.519067 0.017745
H -7.525840 0.526227 1.487964
H 1.227202 -1.374134 -1.520081
H 1.218194 -2.303899 0.004939
H -8.979151 -0.114887 -1.169706
H -9.063372 -1.105071 0.302128
H 2.785520 -0.556575 1.030762
H -10.086292 0.845405 1.554592
H -10.003678 1.833637 0.082949
H -11.574724 0.212465 -1.099839
H -11.658712 -0.780478 0.381832
H -12.327269 0.877054 0.378844
H 6.768023 -2.407516 0.289787
H 6.115986 2.560620 0.377391
H 8.649718 -0.923967 1.006134
H 8.328880 1.573890 1.087664


