%chk=000294596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294596

0 1
S -2.698007 2.502392 -0.522030
O -2.800291 -1.320602 -0.967519
O -2.303942 -0.834384 1.160913
O 5.489312 -1.113511 -0.021220
O 4.384763 -2.331623 1.382971
N -5.327768 -0.387639 0.778658
N 4.454618 -1.469258 0.521506
C -0.449420 1.090642 -1.120658
C -1.062714 1.906691 0.011062
C 0.831954 0.432075 -0.683592
C -3.860730 1.671376 0.590195
C -4.225072 0.285144 0.052508
C 2.051568 0.797261 -1.278743
C 0.810283 -0.560421 0.312578
C 3.238150 0.179408 -0.888701
C 1.989371 -1.183117 0.711651
C 3.201462 -0.810939 0.105772
C -3.026023 -0.654633 0.207291
H -0.280999 1.736698 -2.010037
H -1.159714 0.308376 -1.479615
H -1.135452 1.317858 0.948525
H -0.440039 2.792720 0.248534
H -4.759172 2.321864 0.639071
H -3.462363 1.619953 1.623216
H -4.499546 0.342168 -1.042073
H 2.075591 1.568344 -2.049001
H -0.137564 -0.841192 0.788087
H 4.194996 0.455527 -1.345550
H 1.984561 -1.955961 1.488748
H -6.231169 -0.007114 0.516267
H -5.225423 -0.310429 1.787120
H -2.079721 -2.005572 -0.897634


%chk=000294596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294596

0 1
S -2.683021 2.460109 -0.738541
O -3.993262 -1.578847 -1.059213
O -2.443859 -0.915494 0.538606
O 5.783162 -0.815453 0.320759
O 4.575728 -2.274602 1.591439
N -5.482157 0.024888 1.197595
N 4.663277 -1.303999 0.742467
C -0.284134 0.996713 -1.280546
C -0.965476 1.852628 -0.184743
C 1.017326 0.393665 -0.773100
C -3.806129 1.737201 0.606534
C -4.512077 0.443304 0.168334
C 2.277175 0.890479 -1.198492
C 0.980504 -0.674531 0.167060
C 3.478954 0.342777 -0.707381
C 2.168982 -1.236420 0.667817
C 3.405933 -0.717175 0.222140
C -3.508648 -0.694572 -0.089036
H -0.103519 1.616895 -2.177387
H -0.984648 0.193875 -1.570890
H -1.120318 1.253586 0.726185
H -0.364446 2.743849 0.060669
H -4.571263 2.499520 0.820044
H -3.195881 1.578067 1.512224
H -5.062046 0.626514 -0.769147
H 2.315270 1.711391 -1.923616
H 0.009251 -1.061031 0.497044
H 4.457410 0.711522 -1.026104
H 2.161262 -2.060377 1.386263
H -6.213676 -0.615758 0.880941
H -5.076659 -0.225869 2.103815
H -3.381514 -2.360751 -1.143439


