%chk=000237929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237929

0 1
S 0.148263 1.374047 -0.509158
O 5.269201 1.336831 -0.498813
N 1.753079 -0.637999 0.180469
N 4.167658 -0.527909 0.153551
N 3.016460 -2.484299 0.963159
C -3.510184 -0.326930 0.176549
C -4.911002 0.272740 -0.001938
C -2.418376 0.685532 -0.205945
C -6.005064 -0.734473 0.379689
C -1.035881 0.074928 -0.023761
C -7.401711 -0.143101 0.203303
C 1.734832 0.672906 -0.262806
C 2.854753 1.417922 -0.521759
C 2.966498 -1.201953 0.402516
C 4.167125 0.865111 -0.330488
H -3.410349 -1.240665 -0.440880
H -3.371146 -0.652884 1.225717
H -5.052785 0.600086 -1.050102
H -5.013232 1.187355 0.613712
H -2.569037 1.011842 -1.256219
H -2.529140 1.599599 0.414312
H -5.867633 -1.060384 1.429401
H -5.906621 -1.649494 -0.236719
H -0.848950 -0.236687 1.022148
H -0.888273 -0.825382 -0.650374
H -7.586510 0.154910 -0.835114
H -7.546705 0.745073 0.828971
H -8.176293 -0.867617 0.478872
H 2.814398 2.448414 -0.875123
H 5.075889 -0.954758 0.353177
H 3.814659 -3.071769 0.773831
H 2.133879 -2.984494 1.027519


%chk=000237929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237929

0 1
S 0.227073 1.548222 -0.562561
O 5.439885 1.228058 -0.521792
N 1.765698 -0.593264 0.199930
N 4.152812 -0.598209 0.170531
N 2.926149 -2.502113 0.888310
C -3.514770 -0.287102 0.139618
C -4.956724 0.257424 0.022113
C -2.442820 0.770373 -0.220032
C -6.034046 -0.796675 0.365700
C -1.021473 0.202826 -0.075978
C -7.472049 -0.245739 0.252828
C 1.815743 0.705048 -0.278983
C 2.998382 1.397216 -0.550918
C 2.937889 -1.209229 0.411417
C 4.276971 0.760248 -0.333012
H -3.400739 -1.168522 -0.525196
H -3.343787 -0.649877 1.174616
H -5.126279 0.630568 -1.009448
H -5.074999 1.133308 0.693502
H -2.606902 1.119160 -1.259133
H -2.562787 1.654348 0.437273
H -5.860649 -1.172660 1.394874
H -5.917094 -1.669835 -0.308306
H -0.795342 -0.096722 0.959502
H -0.849631 -0.660784 -0.738066
H -7.681809 0.107807 -0.774389
H -7.623597 0.609340 0.938407
H -8.222772 -1.017363 0.504305
H 3.001180 2.420452 -0.929540
H 5.046405 -1.072768 0.333312
H 3.772118 -3.032883 1.074074
H 2.015766 -2.924155 1.054737


