%chk=000222116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222116

0 1
S 2.415797 1.756090 -0.163806
O 3.402400 2.407216 -1.006985
O 1.969462 2.376256 1.064311
N 1.066907 1.602839 -1.232806
N 4.060802 -3.815745 0.863649
C -4.285371 -0.093137 0.102916
C -4.653715 -1.376372 -0.695939
C -2.861002 0.357098 -0.214960
C -5.239537 1.045126 -0.323737
C -4.489280 -0.367606 1.605135
C -3.719741 -2.553135 -0.430379
C -2.421692 0.382428 -1.551088
C -1.976026 0.798947 0.777440
C -0.249362 1.217768 -0.869828
C -1.137845 0.801414 -1.886725
C -0.684582 1.228728 0.466875
C 2.891317 0.145528 0.145753
C 3.909858 -0.442225 -0.622064
C 2.285343 -0.595832 1.172215
C 4.321343 -1.745146 -0.384858
C 2.673816 -1.901557 1.434179
C 3.697483 -2.492494 0.648503
H -5.694065 -1.665182 -0.451480
H -4.658349 -1.147466 -1.779598
H -5.166558 1.256276 -1.395044
H -4.998645 1.975593 0.202763
H -6.282352 0.801315 -0.101929
H -5.498114 -0.744740 1.802950
H -4.361648 0.539612 2.204897
H -3.782248 -1.118595 1.973327
H -3.970483 -3.407669 -1.067687
H -3.777290 -2.889045 0.610857
H -2.673405 -2.286846 -0.628349
H -3.097109 0.064052 -2.346907
H -2.288474 0.827785 1.822081
H -0.824195 0.804978 -2.926489
H -0.045918 1.619080 1.264708
H 1.192787 1.864572 -2.218530
H 4.394739 0.141720 -1.415690
H 1.497499 -0.136854 1.782685
H 5.108402 -2.188989 -0.986816
H 2.193716 -2.466117 2.227763
H 3.733447 -4.307482 1.676644
H 4.875786 -4.198687 0.417544


%chk=000222116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222116

0 1
S 2.542668 1.942392 0.334684
O 3.849649 2.595581 -0.383957
O 2.110765 2.263153 1.867702
N 1.030129 2.588422 -0.775839
N 2.873469 -4.086239 -0.244234
C -3.993605 -0.277823 0.031013
C -3.744096 -1.821026 -0.119490
C -2.666109 0.489388 -0.164830
C -5.003941 0.160287 -1.073938
C -4.645879 0.007467 1.408627
C -2.736430 -2.433854 0.876925
C -1.939524 0.343325 -1.380458
C -2.114571 1.348660 0.823597
C -0.180177 1.864939 -0.594445
C -0.710242 0.993397 -1.588905
C -0.903152 2.038318 0.616706
C 2.646807 0.082436 0.161995
C 3.489978 -0.455701 -0.829053
C 1.878835 -0.723924 1.024268
C 3.567882 -1.852338 -0.960333
C 1.954811 -2.119875 0.884918
C 2.797190 -2.705493 -0.110214
H -4.724157 -2.330507 -0.017612
H -3.396469 -2.026038 -1.151622
H -4.618125 -0.049661 -2.087840
H -5.212527 1.243637 -1.009290
H -5.959693 -0.384679 -0.955347
H -5.576375 -0.581767 1.505187
H -4.914062 1.074790 1.514370
H -3.988087 -0.264425 2.253138
H -2.603185 -3.513288 0.676611
H -3.078584 -2.330678 1.922510
H -1.747603 -1.946685 0.790913
H -2.328926 -0.307084 -2.172085
H -2.640512 1.499995 1.770739
H -0.157625 0.837653 -2.524701
H -0.501806 2.716689 1.375631
H 1.424289 2.516548 -1.733956
H 4.094413 0.208362 -1.456108
H 1.256388 -0.263026 1.797618
H 4.230786 -2.291774 -1.714668
H 1.368121 -2.764479 1.549662
H 2.340862 -4.700301 0.365439
H 3.482320 -4.511279 -0.937827


