%chk=000257439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257439

0 1
S -0.396127 0.229374 0.256830
O -0.642965 -0.685192 1.350015
O -1.093976 1.501318 0.198452
O 5.852303 -0.891851 -0.131197
O 4.321834 -2.522979 -0.133459
N -0.715460 -0.606173 -1.213377
C -3.755840 -0.643179 -0.321583
C -3.092362 -1.477104 -1.423810
C -5.270960 -0.533317 -0.538484
C -1.614752 -1.789007 -1.139048
C -5.926960 0.330988 0.547892
C 1.305680 0.554306 0.133039
C -7.435801 0.446982 0.343981
C 2.222552 -0.494132 0.067964
C 1.748166 1.882550 0.115021
C 3.596256 -0.207545 -0.020884
C 3.114609 2.167756 0.031304
C 4.041467 1.125461 -0.036339
C 4.545190 -1.334849 -0.096931
H -3.548909 -1.091225 0.671652
H -3.311207 0.373654 -0.286977
H -3.635846 -2.437275 -1.540400
H -3.196656 -0.962239 -2.398335
H -5.728561 -1.541011 -0.541407
H -5.481125 -0.102325 -1.535931
H -1.508361 -2.281625 -0.141593
H -1.240400 -2.525816 -1.889193
H -5.715293 -0.096562 1.547802
H -5.469873 1.340650 0.551788
H -0.945826 -0.019684 -2.028001
H -7.678736 0.904819 -0.621407
H -7.924237 -0.533347 0.375251
H -7.892624 1.065989 1.124417
H 1.891871 -1.542146 0.084783
H 1.018718 2.703568 0.167476
H 3.455825 3.203175 0.020725
H 5.115029 1.334594 -0.101403
H 6.501457 -1.646001 -0.179635


%chk=000257439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257439

0 1
S -0.418694 0.240662 0.164404
O -0.635352 -0.948325 1.257166
O -1.144497 1.700064 0.298085
O 5.999984 -0.933483 0.224254
O 4.341686 -2.538381 0.498672
N -0.781251 -0.510184 -1.530856
C -3.805272 -0.693522 -0.378430
C -3.188458 -1.429054 -1.590205
C -5.335588 -0.518968 -0.508808
C -1.672747 -1.706755 -1.479282
C -5.961415 0.231784 0.688695
C 1.437157 0.576781 0.034050
C -7.490930 0.399433 0.561762
C 2.324012 -0.491327 0.203011
C 1.839465 1.903193 -0.191473
C 3.711549 -0.207468 0.127873
C 3.227688 2.167394 -0.261495
C 4.159075 1.119018 -0.106713
C 4.661119 -1.343039 0.303196
H -3.572408 -1.257291 0.547139
H -3.339355 0.305647 -0.253616
H -3.696539 -2.407686 -1.715378
H -3.391373 -0.856621 -2.520874
H -5.815066 -1.516128 -0.606551
H -5.568105 0.030855 -1.445624
H -1.445159 -2.240250 -0.535292
H -1.334217 -2.354924 -2.311344
H -5.722901 -0.313906 1.624018
H -5.483314 1.227654 0.782351
H -1.198843 0.279688 -2.063651
H -7.753948 0.965839 -0.351928
H -7.995070 -0.583955 0.502745
H -7.911428 0.942653 1.428017
H 1.980547 -1.511795 0.401530
H 1.088856 2.695181 -0.284108
H 3.576483 3.190392 -0.432774
H 5.233774 1.312979 -0.157721
H 6.588632 -1.725555 0.348153


