%chk=000179436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179436

0 1
S -0.819361 -1.249113 0.802413
O 2.932191 -0.463670 -1.438241
N -1.087826 0.903209 -0.588175
N 0.246981 0.778625 -0.425063
N 1.889098 -0.700299 0.640963
N 4.251725 -0.541808 0.474960
C -3.338479 -0.116906 -0.025548
C -3.896686 1.169846 0.607514
C -3.809719 -1.340172 0.776571
C -3.800525 -0.240274 -1.488165
C -1.829958 -0.027742 -0.021077
C 0.613148 -0.296716 0.277851
C 3.031441 -0.516006 -0.235741
C 5.477086 -0.216861 -0.294369
H -3.561783 2.061317 0.058513
H -3.568748 1.288762 1.645631
H -4.991269 1.173823 0.600785
H -3.501486 -1.293315 1.827151
H -4.905725 -1.401835 0.776001
H -3.446485 -2.282581 0.350509
H -3.399575 -1.139940 -1.968036
H -3.465465 0.619125 -2.086089
H -4.891908 -0.283054 -1.558732
H 1.984582 -1.251732 1.495086
H 4.271292 -0.234333 1.445726
H 5.374359 -0.551360 -1.346487
H 6.329775 -0.756634 0.150950
H 5.696918 0.863342 -0.309599


%chk=000179436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179436

0 1
S -0.756104 -1.566320 0.116312
O 2.890871 0.638490 -1.248405
N -1.156316 1.074868 0.230367
N 0.232293 0.922286 0.372095
N 1.941431 -0.780258 0.406254
N 4.260692 -0.506576 0.273258
C -3.349792 -0.173683 0.007931
C -3.975202 1.246674 0.033759
C -3.893689 -1.007130 1.206211
C -3.716425 -0.881363 -1.330444
C -1.839447 -0.057127 0.118546
C 0.621743 -0.349094 0.326184
C 3.034912 -0.132463 -0.269060
C 5.522885 -0.051048 -0.320897
H -3.601562 1.860327 -0.803006
H -3.725611 1.774609 0.969452
H -5.074302 1.159962 -0.047430
H -3.643045 -0.525967 2.168326
H -4.993792 -1.084305 1.131802
H -3.476625 -2.030912 1.211420
H -3.305476 -1.906750 -1.373119
H -3.325278 -0.316631 -2.195113
H -4.815821 -0.946548 -1.425070
H 2.120360 -1.680772 0.853397
H 4.286386 -0.951694 1.191485
H 5.280085 0.472647 -1.258819
H 6.188754 -0.904249 -0.544601
H 6.051676 0.656725 0.344465


