%chk=000220822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220822

0 1
S 0.274985 -0.659101 -0.540488
O -3.212916 1.512211 0.147759
O -4.526465 -0.958654 0.356057
O 0.181022 -1.278367 -1.852038
O -0.247565 -1.382311 0.612029
N -0.606811 0.820496 -0.656424
N 5.771562 1.127075 0.641216
C -3.119622 0.533363 -0.925227
C -1.760727 0.841875 -1.583402
C -3.259294 -0.876582 -0.333944
C -4.439568 1.405570 0.901903
C -4.607836 -0.016508 1.445621
C 1.868100 -0.143608 -0.204907
C 2.435935 -0.396163 1.054407
C 2.623315 0.516668 -1.186255
C 3.733005 0.000884 1.343021
C 3.923726 0.926695 -0.927437
C 4.490236 0.674261 0.348769
H -3.952019 0.734354 -1.637972
H -1.809631 1.872195 -2.016325
H -1.588711 0.145235 -2.440427
H -3.350056 -1.661160 -1.104906
H -2.444690 -1.139317 0.372449
H -5.279861 1.697868 0.248009
H -4.294040 2.157389 1.696812
H -0.856541 1.296574 0.226624
H -3.839020 -0.267242 2.197931
H -5.616169 -0.205027 1.852539
H 1.845295 -0.920482 1.818462
H 2.185541 0.708143 -2.172812
H 4.161211 -0.197062 2.320969
H 4.497768 1.440275 -1.692607
H 6.369725 1.462662 -0.093658
H 6.237916 0.820991 1.477449


%chk=000220822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220822

0 1
S 0.198099 -0.541156 -0.258473
O -3.331432 1.492750 0.339034
O -4.663441 -1.046754 0.004570
O 0.008337 -1.280379 -1.704486
O -0.271791 -1.265146 1.133341
N -0.671174 1.128711 -0.453321
N 6.030765 0.939568 0.390125
C -3.150396 0.684219 -0.896129
C -1.773319 1.096642 -1.450016
C -3.321496 -0.812290 -0.573204
C -4.641166 1.222188 0.966294
C -4.799706 -0.277434 1.253690
C 1.985494 -0.063677 -0.061794
C 2.537622 -0.059590 1.231555
C 2.735153 0.247751 -1.210640
C 3.894311 0.276192 1.380799
C 4.090795 0.581709 -1.056587
C 4.689893 0.606751 0.241314
H -3.936525 0.973993 -1.628613
H -1.841119 2.127792 -1.844742
H -1.473289 0.429396 -2.280260
H -3.280277 -1.423974 -1.488679
H -2.545992 -1.160332 0.140032
H -5.449391 1.564418 0.285841
H -4.656505 1.822887 1.891781
H -1.043556 1.354893 0.493111
H -4.032584 -0.609666 1.985158
H -5.807023 -0.506386 1.641349
H 1.921351 -0.338480 2.092369
H 2.271992 0.209072 -2.201503
H 4.345999 0.280457 2.379341
H 4.694494 0.823200 -1.938889
H 6.605956 1.164979 -0.416487
H 6.467721 0.950896 1.307317


