%chk=000229197.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229197

0 1
S -2.041770 -2.600723 0.691298
O 3.977925 1.283992 1.856869
O 5.389942 1.823016 0.026376
O -2.995051 -3.558749 0.179097
O -1.628136 -2.646552 2.063275
O -4.843282 3.036369 -1.433372
O -3.210976 3.873123 -0.283749
N -0.669172 -2.878708 -0.348723
N 0.330474 -1.974130 -0.183299
N -3.856361 2.938949 -0.725291
C 3.635580 0.514603 0.753245
C -2.555421 -0.992411 0.280920
C 4.484168 0.840308 -0.347967
C 2.509387 -1.074010 -0.601102
C 2.644381 -0.433731 0.661205
C 4.359859 0.222114 -1.571981
C 3.343944 -0.754358 -1.677318
C -3.694449 -0.823672 -0.513071
C -1.839095 0.110728 0.750464
C 5.096903 2.130117 1.430002
C -3.400978 1.562058 -0.370950
C -4.128043 0.462309 -0.845590
C -2.260755 1.405395 0.424250
C 1.476227 -2.113554 -0.792517
H 1.998600 -0.689109 1.499050
H 5.002791 0.466841 -2.412911
H 3.216022 -1.260195 -2.634293
H -4.253919 -1.697597 -0.874621
H -0.943047 -0.026272 1.370514
H 5.976062 1.852619 2.026371
H 4.768160 3.176255 1.484717
H -0.545511 -3.749305 -0.886089
H -5.018410 0.616491 -1.465730
H -1.710515 2.283663 0.781620
H 1.760364 -2.941473 -1.456696


%chk=000229197-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229197

0 1
S -1.979441 -2.564144 0.468656
O 3.877056 1.951938 1.151967
O 6.019401 1.365400 0.237047
O -3.007418 -3.706445 -0.065711
O -1.312824 -2.601876 1.952292
O -5.524735 3.041795 -1.085503
O -4.185962 3.880649 0.559980
N -0.639771 -2.474047 -0.970226
N 0.429800 -1.701882 -0.597085
N -4.596215 2.922439 -0.198860
C 3.771836 0.784016 0.358886
C -2.770377 -0.867968 0.246132
C 5.038391 0.442826 -0.178919
C 2.780795 -1.106249 -0.750589
C 2.628975 0.041415 0.096082
C 5.211335 -0.666097 -1.011198
C 4.055760 -1.438877 -1.291340
C -3.783985 -0.737362 -0.717081
C -2.327105 0.174412 1.075654
C 5.313670 2.329011 1.131238
C -3.952951 1.586749 -0.041523
C -4.393132 0.525594 -0.863342
C -2.936701 1.437463 0.927094
C 1.639579 -1.963557 -1.064769
H 1.649134 0.297834 0.503705
H 6.189894 -0.921354 -1.424038
H 4.149663 -2.317529 -1.939554
H -4.094899 -1.598000 -1.316988
H -1.546414 -0.006217 1.820414
H 5.727984 2.237187 2.149991
H 5.415648 3.343228 0.711329
H -0.465950 -3.476571 -1.229736
H -5.189642 0.700075 -1.590733
H -2.641920 2.294334 1.537819
H 1.826419 -2.823787 -1.737089


