%chk=000288126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288126

0 1
S 2.832489 0.270192 -0.022244
O 2.742085 0.677472 1.378686
O 4.126300 0.128039 -0.650178
O -0.527513 3.421623 0.004320
O -1.867891 -0.215851 2.031331
O -4.828393 2.423089 -0.169893
O -5.807637 0.412786 -0.296177
N 1.991611 1.517354 -0.871962
N 0.374325 2.149680 1.675045
N -2.457946 1.414042 0.542839
C 1.881988 -1.120261 -0.313310
C 1.818171 2.826887 -0.216220
C 2.281152 -2.051895 -1.283886
C 0.711469 -1.347940 0.422036
C 0.328738 -3.409926 -0.796849
C 1.513013 -3.186306 -1.527644
C -0.064435 -2.481319 0.179907
C 0.441909 2.836990 0.468644
C -0.908484 1.989874 2.374914
C -0.485277 -4.630745 -1.057921
C -1.783197 0.945202 1.660659
C -3.360816 0.537810 -0.211946
C -4.787760 1.052694 -0.217689
H 2.084350 1.595880 -1.888094
H 1.832815 3.656065 -0.963150
H 2.624022 3.055427 0.522357
H 3.207960 -1.890826 -1.847595
H 0.390999 -0.645316 1.201828
H 1.829543 -3.906538 -2.280208
H -0.974616 -2.636214 0.763722
H -0.726776 1.643002 3.420223
H -1.441126 2.969886 2.445445
H 1.184056 1.614337 2.042016
H 0.030465 -5.533355 -0.692573
H -1.467226 -4.605890 -0.564014
H -0.670014 -4.781034 -2.131727
H -2.326334 2.374527 0.184873
H -3.355497 -0.499098 0.228291
H -3.016587 0.438101 -1.272146
H -5.759032 2.779858 -0.175109


%chk=000288126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288126

0 1
S 2.884945 0.290081 -0.100301
O 2.770517 0.731351 1.477887
O 4.348349 0.118099 -0.791663
O -0.592796 3.640666 0.053986
O -2.043013 -0.183223 1.919289
O -5.196791 2.383654 0.804686
O -5.885209 1.063128 -0.978942
N 1.863376 1.594230 -1.007190
N 0.325850 2.142748 1.587963
N -2.588789 1.650408 0.573286
C 1.902933 -1.286503 -0.389997
C 1.732112 2.892100 -0.274769
C 2.481261 -2.250005 -1.230112
C 0.666342 -1.452844 0.255151
C 0.508002 -3.673396 -0.811348
C 1.764553 -3.451433 -1.432875
C -0.025934 -2.660718 0.032871
C 0.388795 2.937331 0.472036
C -0.926749 1.982287 2.345473
C -0.255256 -4.965549 -1.031820
C -1.911735 1.045033 1.609043
C -3.547258 0.920096 -0.241361
C -4.982412 1.440267 -0.201220
H 2.325061 1.693034 -1.930813
H 1.718435 3.697646 -1.027672
H 2.572057 3.072401 0.426033
H 3.458739 -2.074035 -1.690494
H 0.233858 -0.695361 0.914036
H 2.192342 -4.224702 -2.080376
H -0.991220 -2.805514 0.530607
H -0.697280 1.531418 3.322400
H -1.388119 2.974909 2.495464
H 1.163169 1.579898 1.828750
H -0.438172 -5.486841 -0.074075
H -1.244258 -4.770264 -1.486345
H 0.292078 -5.656086 -1.694917
H -2.309470 2.611814 0.322896
H -3.557618 -0.126553 0.120596
H -3.247806 0.893171 -1.305885
H -6.151983 2.665561 0.786325


