%chk=000245707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245707

0 1
S -0.372445 0.761790 1.480276
O 4.195120 -0.869134 -0.831745
N 1.957671 0.539712 0.248771
C 1.762614 -0.667964 -0.617429
C 3.209658 1.266823 -0.152562
C 2.991067 -1.579012 -0.474400
C 4.398148 0.301618 -0.015033
C 0.783214 1.437519 0.215049
C -1.823152 0.446657 0.532105
C -2.210139 -0.876028 0.265669
C -2.604996 1.528181 0.118826
C -3.410223 -1.093735 -0.435855
C -1.384769 -2.034643 0.711301
C -3.791364 1.297724 -0.582037
C -4.190641 -0.015642 -0.856342
H 1.599586 -0.414362 -1.686212
H 0.850031 -1.212827 -0.260158
H 3.349482 2.130555 0.531929
H 3.166024 1.663102 -1.189395
H 3.095020 -1.965335 0.555373
H 2.981751 -2.410584 -1.200002
H 5.329397 0.723927 -0.430510
H 4.549621 -0.012167 1.033282
H 0.272784 1.526404 -0.763731
H 1.058455 2.460211 0.550435
H -2.298333 2.549756 0.346983
H -3.733155 -2.110504 -0.650741
H -1.738971 -2.993190 0.314409
H -0.324330 -1.918820 0.404834
H -1.378099 -2.118091 1.810157
H -4.404993 2.134472 -0.907721
H -5.117534 -0.197711 -1.399527


%chk=000245707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245707

0 1
S -0.059767 1.027223 1.647694
O 3.012271 -1.294837 -0.765666
N 2.020932 1.415362 -0.476915
C 1.651375 0.587200 -1.647873
C 3.285878 0.987122 0.161727
C 1.695044 -0.923137 -1.320862
C 3.279717 -0.528617 0.466358
C 1.037870 2.089263 0.271118
C -1.386586 0.305278 0.595243
C -1.693778 -1.087402 0.694469
C -2.131125 1.135289 -0.281962
C -2.730536 -1.602214 -0.127670
C -0.971311 -2.000845 1.666952
C -3.151510 0.598541 -1.096967
C -3.450923 -0.780930 -1.023584
H 2.377259 0.793310 -2.460090
H 0.642748 0.873630 -1.995555
H 3.442560 1.567389 1.088992
H 4.120859 1.206215 -0.533705
H 0.892514 -1.187338 -0.603461
H 1.583065 -1.526518 -2.236906
H 4.269902 -0.868430 0.813204
H 2.510712 -0.760617 1.232408
H 0.257321 2.524565 -0.368990
H 1.472019 2.841020 0.948009
H -1.934485 2.213428 -0.302756
H -2.972662 -2.669868 -0.057866
H -1.232492 -3.057832 1.486552
H 0.125648 -1.886419 1.592868
H -1.234830 -1.756693 2.713672
H -3.717627 1.256040 -1.766328
H -4.243563 -1.210479 -1.646110


