%chk=000220858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220858

0 1
S -3.411547 1.489493 0.880639
S 5.316506 -1.966671 -1.642102
O -3.517693 -1.864981 1.180582
O 2.813302 -4.121827 -0.312655
O -9.599727 0.043947 -1.170942
O -9.440114 2.104536 -1.807969
O 6.795295 3.670175 1.604079
O 6.631030 4.416606 -0.421165
N 2.852365 -1.931482 0.423249
N -8.994536 1.098111 -1.279438
N 6.595444 3.525048 0.409321
C -1.244964 -1.221173 1.218695
C 1.459096 -1.735825 0.667058
C -0.834368 -2.485207 0.750437
C -0.282747 -0.214247 1.396546
C -2.690656 -1.025203 1.480553
C 0.503969 -2.750525 0.479211
C 1.060032 -0.459002 1.126517
C -3.152126 0.247192 2.159210
C 4.945583 -3.039923 -0.247226
C 3.444036 -3.116476 -0.073469
C -5.062223 1.288460 0.306924
C 5.681217 -0.395488 -0.952402
C -5.771987 0.089830 0.390211
C -5.614547 2.428868 -0.295812
C -7.624265 1.162889 -0.729909
C 5.706406 0.662871 -1.872957
C 5.957777 -0.186881 0.402072
C -7.066230 0.023886 -0.129433
C -6.903143 2.366113 -0.821456
C 6.280873 2.159692 -0.066053
C 6.010765 1.948167 -1.429428
C 6.261393 1.098841 0.851943
H -1.589765 -3.266296 0.598354
H -0.577306 0.778357 1.743550
H 0.803832 -3.741137 0.116009
H 1.788875 0.335916 1.266241
H -2.415981 0.650546 2.883144
H -4.072231 0.059414 2.753124
H 3.442732 -1.104970 0.558335
H 5.474186 -2.763933 0.687142
H 5.330558 -4.060250 -0.501703
H -5.326461 -0.812232 0.834511
H -5.051700 3.363117 -0.355251
H 5.489812 0.493804 -2.931621
H 5.967101 -1.016420 1.111976
H -7.644437 -0.906188 -0.077646
H -7.361325 3.239508 -1.299062
H 6.039265 2.794462 -2.127222
H 6.487130 1.288489 1.908386


%chk=000220858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220858

0 1
S -3.976746 1.740614 -0.664074
S 5.270031 -1.020239 -2.229383
O -3.096050 -0.325385 2.260445
O 2.959379 -3.347586 0.182881
O -9.849404 -1.171404 1.265956
O -10.407933 -0.414306 -0.814410
O 7.797926 1.278235 3.692074
O 8.585758 2.861498 2.247613
N 2.475314 -1.312968 -0.906483
N -9.567536 -0.567857 0.157484
N 7.924277 1.782578 2.509432
C -1.213215 -0.014531 0.788213
C 1.247147 -0.925772 -0.312618
C -0.641602 -1.252789 1.193815
C -0.527876 0.761714 -0.187252
C -2.500268 0.407254 1.410247
C 0.572042 -1.714863 0.661601
C 0.685033 0.312684 -0.731280
C -3.126707 1.754586 1.036066
C 4.501520 -2.596373 -1.527705
C 3.241482 -2.442435 -0.654815
C -5.624283 1.020306 -0.322293
C 6.028599 -0.245333 -0.748705
C -5.965248 0.338646 0.873331
C -6.580934 1.168610 -1.363700
C -8.206167 -0.020659 -0.009821
C 6.774240 0.939506 -0.988967
C 5.910204 -0.761358 0.565277
C -7.265682 -0.177920 1.031396
C -7.875408 0.645485 -1.212667
C 7.269532 1.081512 1.382260
C 7.396927 1.609655 0.077394
C 6.535423 -0.095874 1.637629
H -1.178001 -1.844489 1.942732
H -0.940245 1.712654 -0.538483
H 1.005577 -2.663612 0.981519
H 1.201953 0.919015 -1.485137
H -2.380862 2.560428 0.947875
H -3.876063 2.036584 1.791176
H 2.881898 -0.658328 -1.588759
H 5.256906 -3.158808 -0.958259
H 4.247105 -3.185835 -2.426857
H -5.229304 0.178370 1.667661
H -6.315217 1.700784 -2.283279
H 6.872178 1.331312 -2.006857
H 5.339898 -1.670234 0.775520
H -7.555018 -0.709445 1.941737
H -8.629756 0.749016 -1.996714
H 7.977719 2.521862 -0.080783
H 6.459952 -0.472506 2.661064


