%chk=000285065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285065

0 1
S -0.049865 -2.423501 -1.843232
O 4.838431 -0.315045 0.667660
O -4.581204 0.152821 0.900355
O -0.100997 -3.841522 -1.554567
O -0.077142 -1.937450 -3.216827
O 3.202902 -3.662143 2.058954
O -2.306666 -2.431324 2.887076
O 4.849674 -2.257869 2.079328
O -4.105666 -1.230419 2.811121
N 3.792410 -2.674950 1.648407
N -3.095908 -1.692626 2.317728
C 1.373736 -1.776884 -1.089218
C -1.367128 -1.641522 -1.020542
C 1.991549 -2.456976 -0.047950
C -1.697012 -1.971135 0.285684
C 1.937875 -0.588462 -1.591383
C -2.141937 -0.701882 -1.729554
C 3.160274 -1.940740 0.543760
C -2.780561 -1.339627 0.927681
C 3.705223 -0.727328 0.045845
C -3.545941 -0.384873 0.206907
C 3.086623 -0.054497 -1.029354
C -3.219009 -0.069897 -1.128710
C 5.426469 0.927245 0.296777
C -5.374304 1.170403 0.299251
C 4.787608 2.125590 0.617121
C -4.830678 2.431831 0.053526
C 5.473851 3.322166 0.359083
C -5.693656 3.437205 -0.408751
C 6.697969 0.848310 -0.268458
C -6.717209 0.849664 0.108953
C 6.760465 3.275845 -0.211758
C -7.056315 3.144444 -0.611126
C 7.364579 2.054455 -0.515780
C -7.560224 1.868924 -0.350200
C 4.855239 4.636256 0.698618
C -5.179847 4.812014 -0.674887
H 1.588499 -3.414703 0.330536
H -1.130047 -2.729997 0.850542
H 1.467617 -0.085503 -2.447914
H -1.889317 -0.475036 -2.777557
H 3.523812 0.863249 -1.424044
H -3.822162 0.648091 -1.685757
H 3.802187 2.124981 1.075978
H -3.778424 2.630014 0.239242
H 7.153587 -0.116296 -0.484873
H -7.089008 -0.149221 0.330621
H 7.293639 4.204599 -0.411020
H -7.726160 3.925277 -0.969241
H 8.365376 2.034916 -0.950358
H -8.620047 1.659583 -0.504769
H 4.974241 5.369764 -0.111769
H 3.780217 4.562541 0.910685
H 5.327284 5.069190 1.595518
H -4.083376 4.870713 -0.664396
H -5.512838 5.191951 -1.651858
H -5.544391 5.520483 0.086199


%chk=000285065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285065

0 1
S 0.006238 -2.669603 -1.661725
O 4.969255 -0.114498 0.742585
O -4.983721 -0.117054 0.689403
O 0.004002 -4.216770 -1.136741
O 0.014270 -2.230918 -3.240573
O 2.917494 -2.947081 2.850927
O -2.947207 -2.948078 2.820738
O 5.037722 -2.350186 2.249444
O -5.061499 -2.344921 2.205060
N 3.767518 -2.385481 2.052779
N -3.790141 -2.384003 2.016743
C 1.517946 -1.834139 -0.888905
C -1.514014 -1.834901 -0.904868
C 2.043496 -2.361896 0.292630
C -2.050147 -2.361205 0.272437
C 2.116160 -0.769072 -1.584852
C -2.107034 -0.771962 -1.608526
C 3.217800 -1.780365 0.814954
C -3.230152 -1.780315 0.782787
C 3.837711 -0.668652 0.164434
C -3.845471 -0.670719 0.124136
C 3.271983 -0.179739 -1.044824
C -3.268810 -0.183430 -1.080675
C 5.521533 1.105464 0.219905
C -5.530064 1.103171 0.161240
C 4.857697 2.328212 0.444169
C -4.865207 2.325170 0.386772
C 5.458082 3.538857 0.015720
C -5.460450 3.535980 -0.048298
C 6.776618 1.031997 -0.409739
C -6.781478 1.030852 -0.475818
C 6.719458 3.475426 -0.634744
C -6.717925 3.473616 -0.706365
C 7.373034 2.239734 -0.839026
C -7.372784 2.238766 -0.911609
C 4.783922 4.873379 0.280717
C -4.785120 4.869740 0.217630
H 1.589685 -3.219915 0.798818
H -1.600262 -3.217678 0.784706
H 1.697932 -0.435886 -2.540455
H -1.680207 -0.439967 -2.560733
H 3.753972 0.655554 -1.559520
H -3.747130 0.650063 -1.601654
H 3.892594 2.337760 0.963164
H -3.903270 2.334219 0.911632
H 7.265232 0.062840 -0.542765
H -7.271095 0.062327 -0.609714
H 7.194615 4.403091 -0.974159
H -7.188988 4.401433 -1.051030
H 8.349759 2.212732 -1.333348
H -8.346468 2.212546 -1.411936
H 5.006943 5.603633 -0.516668
H 3.687506 4.770331 0.355172
H 5.138976 5.310045 1.234010
H -3.689478 4.764439 0.299922
H -5.000978 5.598282 -0.583291
H -5.145753 5.309869 1.167229


