%chk=000222903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222903

0 1
S 4.641072 0.947598 0.370150
S -4.639181 0.953710 -0.372632
O 3.139181 0.810113 -1.780932
O -3.137506 0.819129 1.778785
O 9.197192 -0.406326 -0.335771
O -9.197337 -0.391681 0.336419
N 7.084803 -0.982945 0.301111
N -7.085809 -0.972981 -0.299062
C 0.606158 0.903985 -0.470090
C -0.604335 0.905938 0.467735
C 1.919634 0.912332 0.323470
C -1.917798 0.914579 -0.325843
C 3.105335 0.874512 -0.586902
C -3.103555 0.880646 0.584606
C 5.928670 0.864992 -0.909772
C -5.926904 0.876068 0.907474
C 6.490640 -0.550826 -0.981937
C -6.491015 -0.538724 0.982972
C 8.455128 -0.813484 0.541708
C -8.455874 -0.802019 -0.540085
C 8.912439 -1.209290 1.917514
C -8.913758 -1.200371 -1.914965
H 0.574436 1.782472 -1.147205
H 0.579002 0.018274 -1.137948
H -0.571261 1.785845 1.142938
H -0.578542 0.021641 1.137518
H 1.966369 1.812879 0.978279
H 1.950795 0.048661 1.026211
H -1.950305 0.049407 -1.026674
H -1.963129 1.813748 -0.982644
H 6.712891 1.604043 -0.645006
H 5.511717 1.174995 -1.892949
H -5.509483 1.187752 1.889922
H -6.710005 1.615681 0.640969
H 5.703144 -1.281597 -1.276540
H 7.281944 -0.590196 -1.777164
H -5.704631 -1.269988 1.279319
H -7.282392 -0.575019 1.778272
H 6.436198 -1.207279 1.048413
H -6.437529 -1.200022 -1.045831
H 8.671781 -2.253489 2.155671
H 10.008486 -1.107833 1.989168
H 8.479743 -0.573513 2.700254
H -8.674719 -2.245507 -2.150632
H -10.009643 -1.097379 -1.986897
H -8.480047 -0.567131 -2.699198


%chk=000222903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222903

0 1
S 4.513261 1.075194 -0.010980
S -4.511870 1.063176 0.028490
O 3.316313 -1.001895 -1.354511
O -3.312653 -1.035097 1.336798
O 9.531673 -0.081686 -0.466929
O -9.531852 -0.087641 0.465504
N 7.461822 -0.203857 0.591434
N -7.463483 -0.195309 -0.597310
C 0.632328 -0.021579 -0.444043
C -0.630322 -0.028879 0.443161
C 1.927635 0.002847 0.406614
C -1.925532 0.000395 -0.407614
C 3.177755 -0.151883 -0.448116
C -3.175254 -0.169949 0.444675
C 5.858568 0.488713 -1.214620
C -5.857003 0.455298 1.221532
C 6.736660 -0.622539 -0.613790
C -6.738611 -0.640874 0.598441
C 8.827849 0.051580 0.580480
C -8.828608 0.064630 -0.579691
C 9.424190 0.493137 1.914368
C -9.424778 0.534745 -1.903849
H 0.619813 0.859292 -1.115811
H 0.647796 -0.918484 -1.091410
H -0.621133 0.844471 1.124715
H -0.642644 -0.933113 1.080342
H 1.988852 0.925886 1.011265
H 1.909721 -0.851420 1.114739
H -1.903738 -0.845275 -1.125848
H -1.990264 0.930473 -1.000989
H 6.446131 1.386412 -1.462628
H 5.325895 0.116366 -2.106413
H -5.324034 0.062842 2.104522
H -6.442062 1.348927 1.489319
H 6.115808 -1.510730 -0.396120
H 7.504833 -0.907205 -1.356388
H -6.120476 -1.526057 0.361581
H -7.507032 -0.938922 1.335518
H 6.924758 -0.045403 1.445569
H -6.926700 -0.021256 -1.448577
H 8.678419 0.591134 2.722297
H 10.191247 -0.237693 2.223957
H 9.934347 1.461812 1.777168
H -8.678478 0.652547 -2.708641
H -10.189911 -0.190628 -2.230701
H -9.937239 1.498898 -1.745312


