%chk=000239707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239707

0 1
S 0.000332 0.790442 0.001021
O -0.159600 1.532813 -1.237872
O 0.160090 1.536097 1.237941
N 3.732573 -0.669909 0.365292
N -3.730319 -0.673878 -0.362532
C 5.139621 -0.169214 0.423091
C 4.591466 -0.765829 -0.855201
C -5.137608 -0.174734 -0.427464
C -4.592884 -0.763740 0.855817
C 2.650502 0.352720 0.369186
C -2.649144 0.349685 -0.368877
C 1.378695 -0.294601 -0.187567
C -1.377734 -0.294471 0.192425
H 5.362657 0.896665 0.482482
H 5.809702 -0.751918 1.062709
H 4.864164 -1.782953 -1.150554
H 4.414568 -0.132642 -1.725154
H -5.361361 0.890603 -0.493481
H -5.805226 -0.761572 -1.065872
H -4.865631 -1.779439 1.155999
H -4.419206 -0.125576 1.722779
H 2.894692 1.280049 -0.195982
H 2.496949 0.657267 1.436415
H -2.894942 1.279000 0.192312
H -2.494126 0.650279 -1.437002
H 1.238571 -1.275555 0.316108
H 1.538415 -0.568745 -1.252261
H -1.236428 -1.277597 -0.306660
H -1.538788 -0.564048 1.258100


%chk=000239707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239707

0 1
S 0.000231 0.659504 -0.000114
O 0.013140 1.468851 -1.427670
O -0.012965 1.474206 1.424368
N 3.925363 -0.632938 0.438913
N -3.923882 -0.636987 -0.436798
C 5.285208 0.019397 0.361000
C 4.729877 -0.732448 -0.839318
C -5.284196 0.014896 -0.363325
C -4.729744 -0.731158 0.840997
C 2.767599 0.304429 0.399792
C -2.766711 0.301247 -0.400582
C 1.536666 -0.518833 0.011763
C -1.535725 -0.519571 -0.007577
H 5.330148 1.114676 0.289961
H 6.056662 -0.437242 0.987765
H 5.100772 -1.732994 -1.080504
H 4.405812 -0.132310 -1.701219
H -5.329884 1.110458 -0.297344
H -6.054690 -0.445063 -0.988847
H -5.100332 -1.730805 1.086340
H -4.406902 -0.126932 1.700495
H 2.902020 1.151107 -0.314124
H 2.625651 0.725208 1.411315
H -2.902402 1.150979 0.309446
H -2.623891 0.717634 -1.413796
H 1.312476 -1.299084 0.756243
H 1.575261 -0.923958 -1.011736
H -1.310652 -1.303334 -0.748091
H -1.574908 -0.919738 1.017847


