%chk=000222490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222490

0 1
S 0.007765 1.671508 -0.136846
S -1.534658 -0.907189 0.239491
S 1.526172 -0.921404 0.239489
O -3.225720 2.155499 2.283691
O 3.245648 2.125410 2.283668
O -0.012204 -2.577274 -1.925856
C -1.410365 0.860394 0.668752
C 1.418307 0.847259 0.668742
C -0.007553 -1.626934 0.934646
C -2.623683 1.494365 0.098143
C 2.637459 1.469928 0.098122
C -0.014128 -3.041675 0.494786
C -3.544229 2.155705 0.945606
C 3.564127 2.122669 0.945579
C -0.016016 -3.427765 -0.864484
C -2.909735 1.468822 -1.274606
C 2.923240 1.441744 -1.274633
C -0.018811 -4.065951 1.464284
C -4.704449 2.771101 0.459318
C 4.730014 2.727255 0.459282
C -0.022349 -4.789845 -1.243933
C -4.064915 2.078730 -1.776026
C 4.084035 2.040890 -1.776062
C -0.025042 -5.407283 1.098846
C -4.955619 2.725200 -0.914432
C 4.980725 2.679036 -0.914473
C -0.026798 -5.766918 -0.260527
H -1.348900 0.984262 1.779267
H 1.358005 0.971697 1.779257
H -0.007006 -1.510472 2.042840
H -2.224243 0.966724 -1.963770
H 2.233098 0.946052 -1.963793
H -0.017488 -3.795936 2.521405
H -5.393950 3.271768 1.130900
H 5.424151 3.221479 1.130860
H -0.023582 -5.037192 -2.303853
H -4.268673 2.046731 -2.844691
H 4.287470 2.007011 -2.844730
H -0.028575 -6.181714 1.861605
H -5.853752 3.197761 -1.313258
H 5.883208 3.143230 -1.313307
H -0.031701 -6.820805 -0.540061
H -3.902294 2.630942 2.826587
H 3.926627 2.594525 2.826562
H -0.007713 -1.606341 -1.680588


%chk=000222490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222490

0 1
S 0.007951 1.756278 -0.615785
S -1.606468 -0.966791 -0.256104
S 1.596935 -0.981631 -0.256343
O -2.975969 2.026517 2.290367
O 2.995102 1.997416 2.290562
O -0.014636 -3.089472 -2.129893
C -1.424593 0.862121 0.249659
C 1.432208 0.848895 0.249624
C -0.007958 -1.679168 0.516351
C -2.715603 1.573381 -0.062660
C 2.729812 1.548043 -0.062635
C -0.014732 -3.178800 0.359976
C -3.482055 2.154743 0.983404
C 3.502043 2.121518 0.983538
C -0.017610 -3.801224 -0.927867
C -3.198832 1.682289 -1.390240
C 3.213745 1.653031 -1.390282
C -0.018378 -4.009629 1.509663
C -4.695556 2.827206 0.708362
C 4.721814 2.782561 0.708542
C -0.023949 -5.211748 -1.039663
C -4.408493 2.350820 -1.676654
C 4.429638 2.310173 -1.676651
C -0.024685 -5.415017 1.402112
C -5.156183 2.923670 -0.622455
C 5.183009 2.875326 -0.622340
C -0.027450 -6.012865 0.118039
H -1.218006 0.879646 1.330616
H 1.225757 0.868194 1.330577
H -0.006549 -1.388146 1.579145
H -2.611578 1.232699 -2.198884
H 2.622042 1.209483 -2.199018
H -0.016215 -3.538006 2.499628
H -5.277228 3.271374 1.526787
H 5.307875 3.220756 1.527052
H -0.026009 -5.650599 -2.041829
H -4.765116 2.423691 -2.708792
H 4.786682 2.380201 -2.708840
H -0.027400 -6.035717 2.303751
H -6.096750 3.444540 -0.831615
H 6.128448 3.387314 -0.831470
H -0.032335 -7.103969 0.018998
H -3.575086 2.461501 2.945611
H 3.598428 2.426434 2.945878
H -0.010167 -2.104038 -1.976421


