%chk=000255738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255738

0 1
S 2.970714 -1.194847 -0.425589
O -2.657190 -2.631089 -0.226332
O -3.790700 1.829140 0.203551
N -1.543818 1.360820 0.045447
N 0.293710 -1.697056 -0.305314
N -3.227337 -0.407532 -0.010981
N 0.820315 0.534440 -0.150852
C -0.919295 -0.990731 -0.183048
C -0.563704 0.383665 -0.088765
C 3.878341 0.408477 -0.240443
C 1.300009 -0.746604 -0.283413
C 3.917208 0.824459 1.226113
C -2.275588 -1.481255 -0.151371
C -2.925473 0.982393 0.087343
C 5.230332 0.130414 -0.866320
C -1.169335 2.792412 0.138083
C 4.645690 -0.141769 2.153286
C -4.675844 -0.751464 0.037846
H 3.323735 1.183274 -0.830355
H 4.394970 1.826514 1.292146
H 2.877048 0.979273 1.591974
H 0.361441 -2.697638 -0.395717
H 5.883615 1.011408 -0.776559
H 5.155676 -0.102058 -1.937949
H 5.765524 -0.700241 -0.384870
H -2.078469 3.417873 0.231702
H -0.614237 3.101502 -0.765398
H -0.526123 2.962630 1.019464
H 5.698442 -0.263180 1.875327
H 4.621176 0.219168 3.188838
H 4.186206 -1.138394 2.150577
H -4.805563 -1.847354 -0.045948
H -5.215382 -0.263112 -0.791976
H -5.120293 -0.410439 0.988803


%chk=000255738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255738

0 1
S 2.987877 -1.325713 -0.497890
O -2.724628 -2.689168 -0.170528
O -3.767388 1.905794 0.180852
N -1.500836 1.327016 -0.010776
N 0.238500 -1.756531 -0.309478
N -3.227234 -0.369093 0.005485
N 0.810410 0.448462 -0.220536
C -0.960398 -1.036902 -0.192435
C -0.570591 0.307955 -0.136102
C 3.839700 0.391336 -0.207838
C 1.270751 -0.830322 -0.326048
C 3.852026 0.753943 1.291672
C -2.322150 -1.485459 -0.127444
C -2.882235 1.010183 0.066788
C 5.222538 0.305359 -0.871281
C -1.071750 2.737304 0.040955
C 4.696208 -0.168426 2.194741
C -4.675951 -0.665492 0.087826
H 3.178409 1.089885 -0.748628
H 4.238490 1.793236 1.361113
H 2.807181 0.789679 1.650825
H 0.308499 -2.772179 -0.367063
H 5.758144 1.260037 -0.711597
H 5.137061 0.135470 -1.957925
H 5.842041 -0.501257 -0.441621
H -1.975804 3.355239 0.141411
H -0.530106 3.002986 -0.882497
H -0.403039 2.899135 0.903249
H 5.768032 -0.140967 1.928028
H 4.608520 0.144380 3.250534
H 4.349753 -1.215508 2.122298
H -4.788840 -1.757731 0.024782
H -5.210797 -0.171945 -0.739993
H -5.086595 -0.287607 1.038421


