%chk=000299072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299072

0 1
S -1.745647 1.548503 1.535077
O -0.849821 0.365874 -0.687832
O 1.956587 -2.479560 -0.265863
O -0.034829 -1.940994 -0.901617
N -3.028230 0.007960 -0.276161
N 1.080645 -1.660482 -0.493466
C 0.431202 0.769735 -0.305815
C 1.408155 -0.245516 -0.267241
C 0.757905 2.115377 -0.104334
C 2.744232 0.114274 0.004462
C -1.914929 0.623076 0.170235
C 2.085878 2.443622 0.166753
C 3.074858 1.447669 0.221544
C -3.018093 -0.887716 -1.454682
C -4.307814 0.176324 0.450190
H -0.016910 2.885812 -0.146473
H 3.507638 -0.672127 0.043899
H 2.358957 3.487655 0.338541
H 4.107622 1.722600 0.438541
H -3.651676 -1.772816 -1.280364
H -1.985148 -1.259282 -1.656263
H -3.372017 -0.357290 -2.354205
H -4.430009 1.217908 0.812216
H -4.342185 -0.486616 1.336007
H -5.160471 -0.058491 -0.206448


%chk=000299072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299072

0 1
S -1.891335 1.522954 1.719089
O -0.871043 0.334055 -0.578159
O 2.058663 -2.526697 0.013851
O 0.198893 -2.053427 -1.210703
N -3.092152 0.031679 -0.255624
N 1.215980 -1.691812 -0.502805
C 0.441794 0.726888 -0.291829
C 1.475269 -0.251052 -0.280827
C 0.773364 2.083426 -0.079833
C 2.818576 0.126962 -0.044515
C -1.979895 0.619599 0.274452
C 2.114735 2.457173 0.139949
C 3.139395 1.480245 0.162059
C -3.059011 -0.889320 -1.417613
C -4.402048 0.226253 0.394096
H -0.025362 2.827824 -0.083617
H 3.582510 -0.654808 -0.028500
H 2.358217 3.512989 0.295961
H 4.179408 1.773058 0.334407
H -3.674893 -1.776155 -1.184497
H -2.027823 -1.207463 -1.618427
H -3.473039 -0.392823 -2.315399
H -4.444263 1.222750 0.860417
H -4.567453 -0.530349 1.184355
H -5.192587 0.133549 -0.369586


