%chk=000238966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238966

0 1
S -2.453034 0.077811 0.164732
S -0.860033 -2.449679 0.138747
N 0.128463 0.049010 0.006795
C 1.565817 -0.386742 -0.034906
C -0.182468 1.512849 -0.027033
C -1.685482 1.732077 0.129535
C -0.911887 -0.809583 0.096135
C 2.282963 0.063031 1.240067
C 2.244035 0.152714 -1.296073
H 1.572859 -1.516656 -0.076556
H 0.181699 1.932464 -0.993472
H 0.383180 2.020390 0.787598
H -1.935397 2.269456 1.062730
H -2.112182 2.314213 -0.707481
H 3.294490 -0.361058 1.281103
H 2.385039 1.149929 1.314328
H 1.754652 -0.284682 2.138866
H 1.671632 -0.099688 -2.199068
H 3.239111 -0.296063 -1.414973
H 2.382641 1.238006 -1.278874


%chk=000238966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238966

0 1
S -2.523936 0.093687 -0.093968
S -0.833151 -2.505672 -0.053932
N 0.130164 0.090412 0.001229
C 1.556543 -0.346499 0.022348
C -0.207272 1.521999 -0.204035
C -1.647651 1.734322 0.293703
C -0.912139 -0.810018 -0.040678
C 2.263072 0.144762 1.304797
C 2.288720 0.090227 -1.266186
H 1.502591 -1.451654 0.044895
H -0.128149 1.772110 -1.281652
H 0.502180 2.158031 0.353523
H -1.696690 1.901468 1.380747
H -2.155508 2.548156 -0.243722
H 3.284431 -0.274096 1.349544
H 2.355053 1.247134 1.332766
H 1.714842 -0.186932 2.203388
H 1.760017 -0.276533 -2.163388
H 3.308760 -0.333299 -1.272498
H 2.384221 1.190192 -1.334679


