%chk=000218767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218767

0 1
S -7.103797 -0.074857 0.193738
S -7.227062 1.407697 -1.227693
O -0.186414 0.879231 0.623801
O 7.096997 -1.171554 -0.442866
O -6.797653 0.483334 -2.555958
O -8.591361 1.765856 -1.426112
O -6.183010 2.354633 -1.030378
N -3.090849 -0.104517 0.868818
N 1.802992 -0.295129 1.017136
C 3.738426 0.208310 -0.436268
C 2.937372 1.182171 -1.154150
C -2.210622 0.681500 1.786974
C 3.130402 -0.503234 0.637793
C -0.790701 0.119199 1.732980
C -4.470302 0.472950 0.794685
C 1.116219 0.612464 0.318637
C 1.633084 1.383413 -0.779316
C 5.092889 -0.063828 -0.756245
C 3.881796 -1.473791 1.374506
C -5.354479 -0.579957 0.129884
C 3.532841 1.950395 -2.284379
C 5.790469 -1.009922 -0.021768
C 5.192576 -1.727114 1.053618
C 7.920008 -2.135752 0.253342
H -2.185322 1.771549 1.550521
H -2.608114 0.581018 2.822623
H -0.739863 -0.957383 1.489131
H -0.210471 0.324203 2.648386
H -4.511412 1.441640 0.238838
H -4.830537 0.686583 1.827006
H -2.670588 -0.112245 -0.071170
H 0.975022 2.095538 -1.270087
H 5.590340 0.459862 -1.569637
H 3.382343 -2.000066 2.190938
H -5.045528 -0.792535 -0.913430
H -5.289265 -1.550216 0.673660
H 3.881273 1.278771 -3.084477
H 2.823450 2.653600 -2.742378
H 4.401171 2.540820 -1.952529
H 5.765625 -2.463373 1.610909
H 8.872347 -2.045019 -0.286374
H 7.505381 -3.141831 0.144691
H 8.038521 -1.850762 1.302458
H -7.368194 0.537849 -3.341059


%chk=000218767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218767

0 1
S -6.996481 -0.196215 0.032086
S -7.093168 1.450942 -1.823555
O -0.247547 0.732635 0.788586
O 7.178940 -1.094596 -0.500822
O -8.153132 0.448378 -2.979385
O -7.890832 2.828343 -1.527560
O -5.592372 1.545410 -2.439779
N -2.995914 0.079053 1.023613
N 1.843687 -0.302811 1.148381
C 3.698553 0.162775 -0.452739
C 2.819555 1.036305 -1.213409
C -2.177700 0.459991 2.185571
C 3.158361 -0.484943 0.726277
C -0.730586 0.012741 1.995240
C -4.425729 0.397219 1.066730
C 1.079117 0.506569 0.415756
C 1.510825 1.198994 -0.765672
C 5.053263 -0.078506 -0.815883
C 4.001436 -1.344887 1.488451
C -5.140382 -0.397007 -0.044152
C 3.314051 1.746345 -2.454946
C 5.860105 -0.931300 -0.046180
C 5.331491 -1.571724 1.118459
C 8.062989 -1.976804 0.264829
H -2.196648 1.559927 2.373280
H -2.584232 -0.033940 3.090216
H -0.653461 -1.075276 1.821165
H -0.099978 0.280905 2.861393
H -4.653536 1.482118 0.943849
H -4.820630 0.096150 2.056530
H -2.535521 0.307143 0.132787
H 0.799843 1.842866 -1.290387
H 5.494621 0.392595 -1.698707
H 3.572525 -1.823280 2.374178
H -4.820600 -0.040687 -1.046560
H -4.921038 -1.478474 0.018316
H 3.658430 1.024042 -3.218925
H 2.518557 2.363541 -2.903453
H 4.171278 2.406762 -2.224662
H 5.954363 -2.237123 1.723524
H 9.022024 -1.955208 -0.273118
H 7.675617 -3.013909 0.291988
H 8.208634 -1.606451 1.298278
H -8.622782 1.100894 -3.580791


