%chk=000245733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245733

0 1
S 0.195018 0.528140 1.063780
O 5.210731 -0.624336 -0.295146
N 2.536051 0.347463 -0.076622
C 2.832699 -1.119490 0.022609
C 3.527712 1.016628 -0.984062
C 4.260983 -1.291403 0.562524
C 4.937514 0.786209 -0.415354
C 1.147465 0.597060 -0.517303
C -1.429943 0.238431 0.471534
C -1.878869 -1.079699 0.285749
C -2.288626 1.330636 0.260275
C -4.065933 -0.218389 -0.344227
C -3.200699 -1.300429 -0.127724
C -3.608219 1.092734 -0.151619
C -0.975892 -2.246648 0.515318
C -1.822837 2.733782 0.464578
C -5.469758 -0.461909 -0.795768
H 2.729744 -1.648540 -0.948586
H 2.107191 -1.576506 0.732259
H 3.306929 2.105131 -1.004970
H 3.478265 0.643421 -2.029119
H 4.360434 -0.892130 1.587759
H 4.600231 -2.340673 0.522208
H 5.727430 1.124382 -1.107942
H 5.060479 1.262211 0.573971
H 0.730682 -0.129847 -1.240546
H 1.036040 1.610531 -0.951328
H -3.557810 -2.315466 -0.277407
H -4.280562 1.929538 -0.319395
H -1.499568 -3.208588 0.445691
H -0.155414 -2.268818 -0.215693
H -0.512363 -2.204132 1.514701
H -2.620696 3.473293 0.323006
H -1.423701 2.879170 1.482311
H -1.009130 2.994377 -0.227404
H -6.161381 0.317503 -0.448687
H -5.524731 -0.478086 -1.894667
H -5.863464 -1.422649 -0.437807


%chk=000245733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245733

0 1
S 0.569185 -0.278697 0.838459
O 4.765812 0.543687 0.647994
N 2.679852 -0.204430 -1.226568
C 3.677281 -1.191700 -0.749994
C 3.170047 1.191754 -1.139314
C 4.212735 -0.824418 0.654188
C 3.719925 1.515492 0.270176
C 1.303241 -0.474325 -1.079981
C -1.227684 -0.137226 0.441879
C -2.052504 -1.301191 0.466339
C -1.784978 1.140920 0.137118
C -4.009907 0.089359 -0.144234
C -3.431953 -1.163096 0.173543
C -3.169691 1.228352 -0.150943
C -1.492778 -2.669413 0.813651
C -0.939379 2.402689 0.137050
C -5.485975 0.205373 -0.484133
H 4.525678 -1.200406 -1.462534
H 3.219345 -2.197245 -0.740194
H 2.347787 1.882429 -1.399251
H 3.983715 1.320127 -1.880338
H 3.403183 -0.901950 1.410714
H 5.052363 -1.478517 0.943218
H 4.217957 2.499286 0.285224
H 2.897251 1.496236 1.014907
H 1.059219 -1.517080 -1.330533
H 0.670006 0.233047 -1.636269
H -4.068467 -2.056967 0.198597
H -3.600807 2.211862 -0.378515
H -2.284877 -3.437667 0.780778
H -0.689607 -2.968798 0.115295
H -1.040403 -2.671998 1.821611
H -1.562782 3.293193 -0.055207
H -0.419784 2.532877 1.103019
H -0.148651 2.365802 -0.636629
H -5.889111 1.195074 -0.205267
H -5.656301 0.076269 -1.571128
H -6.082941 -0.565801 0.034168


