%chk=000215573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215573

0 1
S -3.137795 1.670151 0.708527
O -0.155745 1.439183 -1.302046
O 0.059251 3.062062 0.383162
N 2.915881 -0.285309 0.090148
C 1.473377 0.026622 -0.052437
C 3.596344 0.622883 1.056219
C 3.199284 -1.724384 0.330525
C 1.290761 1.089376 -1.152857
C 5.109489 0.758377 0.800592
C 2.948341 -2.602423 -0.910308
C -0.650706 2.421564 -0.439757
C -2.143846 2.578724 -0.644184
C -2.736290 -0.094209 0.334942
C -3.066110 -0.676486 -0.911240
C -2.143708 -0.876123 1.353887
C -2.788763 -2.042399 -1.141637
C -1.887134 -2.248662 1.124870
C -2.202934 -2.832729 -0.123506
H 0.915481 -0.880869 -0.340742
H 1.024991 0.396106 0.898076
H 3.129646 1.620933 0.961994
H 3.417719 0.294195 2.111528
H 4.265286 -1.810833 0.608212
H 2.611144 -2.118318 1.198674
H 1.585000 0.694020 -2.135943
H 1.857568 2.007626 -0.920084
H 5.653534 -0.183564 0.995224
H 5.289814 1.047161 -0.249675
H 5.541134 1.533939 1.460162
H 1.882399 -2.614038 -1.202971
H 3.534528 -2.222424 -1.765291
H 3.250118 -3.647423 -0.709817
H -2.433447 3.633248 -0.515744
H -2.456096 2.204243 -1.628698
H -3.540218 -0.072361 -1.692471
H -1.883269 -0.412000 2.310706
H -3.040876 -2.490450 -2.109131
H -1.435573 -2.854370 1.918401
H -1.999282 -3.894535 -0.301311


%chk=000215573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215573

0 1
S -2.893076 1.525748 0.936970
O -0.121043 1.266287 -1.174697
O 0.230368 3.095725 0.240607
N 3.073744 -0.217578 0.216264
C 1.618830 0.047129 0.127082
C 3.799924 0.838262 0.977064
C 3.407406 -1.598672 0.651629
C 1.334162 0.930545 -1.102670
C 5.273857 0.981549 0.553500
C 3.141599 -2.653466 -0.439309
C -0.543141 2.355536 -0.411592
C -2.048715 2.489904 -0.483066
C -2.826216 -0.202915 0.287671
C -3.577722 -0.577767 -0.850623
C -2.064313 -1.165689 0.989219
C -3.550784 -1.917720 -1.297978
C -2.057141 -2.510337 0.549054
C -2.793818 -2.887057 -0.597445
H 1.067914 -0.902706 0.014001
H 1.224186 0.548953 1.040645
H 3.281724 1.798655 0.797825
H 3.738414 0.652955 2.079162
H 4.483575 -1.617824 0.902178
H 2.859822 -1.875879 1.588450
H 1.540788 0.388050 -2.036638
H 1.916367 1.867772 -1.063208
H 5.848581 0.054935 0.733966
H 5.339905 1.217779 -0.522860
H 5.760704 1.793281 1.125625
H 2.075551 -2.687407 -0.730412
H 3.733646 -2.423404 -1.342187
H 3.421377 -3.661025 -0.078423
H -2.342736 3.537011 -0.317247
H -2.444971 2.112258 -1.436035
H -4.187655 0.166954 -1.374201
H -1.485084 -0.862454 1.867641
H -4.130377 -2.206045 -2.181895
H -1.473392 -3.257330 1.098550
H -2.782960 -3.927509 -0.940617


