%chk=000267976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267976

0 1
S 0.990895 0.966522 2.258054
P 1.100152 0.153373 0.539587
O 1.421557 -1.442407 0.684024
O 2.280197 0.765508 -0.456498
N -1.297678 -0.126466 0.084181
N -0.215156 0.374688 -0.617831
C -4.927317 0.309894 0.163227
C -4.587719 1.112393 -1.109193
C -3.654705 -0.456862 0.562859
C -3.052673 1.217662 -1.176055
C -2.522251 0.205495 -0.187571
C 1.346767 -2.302781 -0.488565
C 3.545165 1.116533 0.188239
C 2.553877 -2.116469 -1.388429
C 4.467318 1.384005 -0.987637
H -5.772378 -0.376445 -0.008703
H -5.238105 0.989255 0.977171
H -5.058079 2.109131 -1.090322
H -4.977898 0.599140 -2.005774
H -3.719411 -1.528044 0.290197
H -3.480202 -0.431296 1.656227
H -2.712123 2.235637 -0.906764
H -2.679633 1.016949 -2.196886
H -0.297721 1.297773 -1.094164
H 1.344377 -3.297575 0.005794
H 0.387082 -2.157258 -1.018325
H 3.384791 2.021985 0.807051
H 3.902488 0.277154 0.813711
H 2.593111 -2.891267 -2.162496
H 2.549089 -1.140709 -1.898998
H 3.489502 -2.168155 -0.815768
H 5.434815 1.776264 -0.654489
H 4.648170 0.473321 -1.572495
H 4.021594 2.116450 -1.675660


%chk=000267976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267976

0 1
S 1.648980 0.707747 2.830599
P 1.307786 -0.002623 0.931778
O 1.557523 -1.713701 0.881004
O 2.242289 0.735309 -0.356551
N -1.362834 -0.286591 0.554122
N -0.182344 0.279851 0.066727
C -4.857485 0.552071 -0.070820
C -4.230526 1.038850 -1.407411
C -3.826443 -0.476167 0.465866
C -2.707632 1.126263 -1.104718
C -2.490351 0.091534 0.003408
C 1.196733 -2.512854 -0.328366
C 3.607930 1.242444 -0.052378
C 2.359002 -2.566520 -1.324390
C 4.007485 2.139320 -1.221620
H -5.863427 0.118662 -0.205901
H -4.947249 1.399924 0.634590
H -4.648978 1.999075 -1.754956
H -4.411440 0.288379 -2.200277
H -3.999588 -1.468285 0.001199
H -3.855257 -0.617848 1.558851
H -2.436767 2.138345 -0.735259
H -2.083848 0.931274 -2.000011
H -0.171638 1.023880 -0.643857
H 0.969535 -3.505516 0.095698
H 0.279444 -2.097934 -0.785015
H 3.584244 1.794609 0.906941
H 4.292070 0.378969 0.052271
H 2.108091 -3.248014 -2.159610
H 2.567049 -1.564400 -1.737349
H 3.272324 -2.945293 -0.833749
H 5.028795 2.530821 -1.059163
H 3.997942 1.577072 -2.171198
H 3.316484 2.994742 -1.312757


