%chk=000211660.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211660

0 1
S -3.032566 0.821114 3.078943
S 3.183044 0.597700 -2.761811
S -0.975957 2.992208 2.918930
S 2.157085 3.146367 -1.586281
O -1.245486 -1.238986 0.926432
O 0.695106 -1.321479 -1.129278
N -1.445911 1.113879 1.059905
N 1.796915 0.685802 -0.576921
C -2.157261 -0.172975 0.720762
C 1.985108 -0.788257 -0.773580
C -0.396614 1.649997 0.156636
C 1.014929 1.190863 0.585124
C -3.255402 -0.414888 1.766655
C 2.963145 -1.003057 -1.937499
C -2.686838 -0.145587 -0.705795
C 2.406850 -1.507539 0.492537
C -1.708342 1.685194 2.271932
C 2.306087 1.530586 -1.525932
C -2.492160 -1.255003 -1.538792
C 3.485166 -1.008865 1.240546
C -3.403127 0.964763 -1.174262
C 1.750849 -2.676712 0.897477
C -2.999242 -1.247859 -2.840870
C 3.898044 -1.679640 2.392998
C -3.907594 0.968188 -2.477352
C 2.169054 -3.342991 2.053690
C -3.704939 -0.136076 -3.312077
C 3.240253 -2.846169 2.801314
H -0.627942 1.347820 -0.889041
H -0.443488 2.770673 0.166073
H 1.564943 2.047467 1.050999
H 0.962985 0.397433 1.368300
H -4.271270 -0.340039 1.337588
H -3.150982 -1.437587 2.192742
H 3.943538 -1.386306 -1.587933
H 2.577989 -1.758543 -2.650503
H -0.461040 -1.207246 0.298520
H 0.316666 -0.881712 -1.926901
H -1.954709 -2.129637 -1.162691
H 3.996781 -0.096589 0.929513
H -3.565570 1.827842 -0.525262
H 0.910473 -3.064530 0.315610
H -2.850668 -2.112679 -3.486299
H 4.731433 -1.290927 2.978094
H -4.460676 1.833657 -2.842271
H 1.652508 -4.248066 2.372811
H -4.099899 -0.130762 -4.327722
H 3.562332 -3.364346 3.704642


%chk=000211660-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211660

0 1
S -2.778868 0.328448 3.246030
S 2.831066 0.305691 -3.054845
S -0.634155 2.553565 3.135650
S 1.823556 3.027054 -1.948900
O -1.308458 -1.470527 0.706257
O 0.716321 -1.479001 -1.104647
N -1.419034 0.940087 1.049160
N 1.815180 0.621080 -0.605704
C -2.154356 -0.293973 0.607585
C 2.003973 -0.850180 -0.696768
C -0.411835 1.593984 0.181936
C 1.069904 1.230649 0.529856
C -3.299517 -0.510521 1.634525
C 3.068516 -1.086258 -1.797689
C -2.734562 -0.119626 -0.810345
C 2.440004 -1.492720 0.619182
C -1.524806 1.324524 2.372120
C 2.102517 1.376615 -1.731721
C -2.752318 -1.214428 -1.708309
C 3.482096 -0.879236 1.361497
C -3.322137 1.109633 -1.206019
C 1.879705 -2.708776 1.073930
C -3.332437 -1.076575 -2.990904
C 3.952921 -1.473138 2.549921
C -3.899849 1.246560 -2.485901
C 2.355286 -3.301553 2.265544
C -3.903800 0.154081 -3.385426
C 3.390212 -2.688820 3.005898
H -0.638463 1.325628 -0.862481
H -0.540954 2.683855 0.283872
H 1.606932 2.144890 0.829066
H 1.103552 0.525212 1.374423
H -4.241412 -0.055224 1.298524
H -3.417650 -1.588621 1.806850
H 4.085038 -1.013234 -1.386272
H 2.918809 -2.065023 -2.275279
H -0.558782 -1.436726 0.028557
H 0.491628 -1.176325 -2.024308
H -2.335548 -2.174483 -1.385930
H 3.912436 0.069342 1.017611
H -3.319571 1.959364 -0.512649
H 1.079179 -3.187310 0.504379
H -3.345132 -1.931303 -3.676556
H 4.750911 -0.987552 3.121425
H -4.343060 2.203392 -2.782395
H 1.909800 -4.238246 2.616882
H -4.351214 0.261274 -4.379608
H 3.751972 -3.149049 3.931676


