%chk=000200772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200772

0 1
S 3.205609 -1.635676 -0.524168
O -1.416765 -3.403307 0.083303
O -5.255269 1.595365 -0.414091
N -0.492760 -1.261359 0.212912
N 1.108736 0.547674 0.113296
C 1.786725 -1.853426 0.584929
C 1.011592 -3.130677 0.291632
C 0.819016 -0.707222 0.291000
C -0.446554 -2.699198 0.185588
C -1.701554 -0.482070 0.070543
C 3.521738 0.075137 -0.281107
C 2.469505 0.959919 0.038215
C -1.843023 0.730194 0.761298
C -2.740792 -0.967618 -0.753823
C 4.825054 0.542515 -0.446541
C 2.747632 2.328938 0.214795
C -3.019727 1.473699 0.632015
C -3.914156 -0.239580 -0.882221
C 5.088423 1.905299 -0.280716
C 4.054129 2.789739 0.053678
C -4.042454 0.983012 -0.187249
C -5.504678 2.862998 0.239292
H 2.125046 -1.813849 1.648515
H 1.135224 -3.900770 1.079071
H 1.319019 -3.630269 -0.653619
H -1.035989 1.109878 1.390860
H -2.630932 -1.921257 -1.276743
H 5.634980 -0.143256 -0.699616
H 1.935207 3.013282 0.462311
H -3.118381 2.414668 1.163302
H -4.735042 -0.589745 -1.505734
H 6.102506 2.280474 -0.409212
H 4.271824 3.849904 0.185709
H -5.494974 2.739328 1.325831
H -6.513952 3.104167 -0.119846
H -4.781064 3.612091 -0.094607


%chk=000200772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200772

0 1
S 3.258874 -1.707058 -0.665440
O -1.473989 -3.456694 0.314278
O -5.294434 1.630143 -0.451025
N -0.480450 -1.289989 0.208176
N 1.110257 0.514042 0.115611
C 1.810520 -1.889355 0.539170
C 0.998449 -3.175626 0.333749
C 0.829707 -0.751347 0.263245
C -0.464593 -2.716293 0.298436
C -1.689492 -0.515698 0.054090
C 3.552605 0.076586 -0.326584
C 2.466142 0.931540 0.047097
C -1.844799 0.713357 0.732797
C -2.735334 -0.999358 -0.774449
C 4.852467 0.599976 -0.497140
C 2.739512 2.307513 0.272927
C -3.031476 1.462330 0.590586
C -3.919787 -0.259571 -0.914844
C 5.099094 1.973084 -0.274160
C 4.040355 2.825359 0.122824
C -4.074873 0.974553 -0.235083
C -5.504686 2.910431 0.229459
H 2.216999 -1.800827 1.561551
H 1.139391 -3.925270 1.127494
H 1.226788 -3.662962 -0.632699
H -1.033788 1.096557 1.355123
H -2.629627 -1.954062 -1.293937
H 5.671972 -0.065926 -0.788973
H 1.896858 2.949604 0.548029
H -3.126444 2.412796 1.123216
H -4.737163 -0.618098 -1.546964
H 6.111373 2.369898 -0.404685
H 4.228397 3.889276 0.301523
H -5.475029 2.790908 1.330008
H -6.507301 3.238712 -0.080880
H -4.752595 3.660470 -0.083727


