%chk=000252180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252180

0 1
S -5.220202 -1.201504 -0.686746
N 1.012381 0.965115 -0.124043
N -2.306561 -0.664328 0.282511
N 1.314031 -1.421705 0.253211
N -1.166208 1.921917 -0.131951
N -0.488421 -2.885849 0.551918
N -3.296630 2.858883 -0.229038
N -5.301087 0.901355 0.976444
C -0.952532 -0.490394 0.200852
C -0.353620 0.813571 -0.025541
C 1.789988 -0.142236 0.014810
C -0.036198 -1.609053 0.345264
C 3.258819 0.023548 -0.090418
C -3.090335 0.400236 0.152457
C -2.512847 1.740516 -0.044654
C 3.809741 1.307754 -0.258930
C 4.110220 -1.094602 -0.023588
C -4.547472 0.171287 0.248081
C 5.193569 1.466307 -0.358542
C 5.492659 -0.926779 -0.124315
C 6.035501 0.351696 -0.291533
C -4.071602 -1.581492 -2.020515
H 3.150377 2.181305 -0.312489
H 3.688304 -2.094557 0.107939
H 5.615242 2.461683 -0.488767
H 6.148318 -1.794023 -0.072112
H 0.165056 -3.639776 0.706900
H -1.469721 -3.062555 0.714262
H 7.114552 0.478883 -0.369523
H -2.836660 3.762945 -0.271177
H -4.250085 2.863649 0.113650
H -6.301128 0.723805 1.044941
H -4.606993 -2.207603 -2.748760
H -3.196443 -2.138801 -1.660997
H -3.720215 -0.681397 -2.539202


%chk=000252180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252180

0 1
S -5.199592 -1.429075 -0.187896
N 1.087613 1.044985 -0.000057
N -2.236654 -0.605186 0.079266
N 1.352730 -1.398912 0.090213
N -1.073970 2.012821 0.075365
N -0.519047 -2.817333 0.241850
N -3.213132 2.938255 0.210419
N -5.309117 1.312765 0.227004
C -0.886406 -0.420092 0.093990
C -0.280106 0.895282 0.054548
C 1.832299 -0.096659 0.007936
C 0.009651 -1.561680 0.139798
C 3.307761 0.056404 -0.069220
C -3.037749 0.484567 0.072622
C -2.427834 1.831511 0.119025
C 3.883335 1.353967 -0.153031
C 4.155260 -1.084571 -0.061899
C -4.502387 0.291768 0.034503
C 5.282222 1.504514 -0.229300
C 5.554455 -0.929296 -0.138777
C 6.122917 0.364597 -0.222707
C -4.363150 -2.024945 -1.775371
H 3.210102 2.216345 -0.155723
H 3.693984 -2.073885 0.004962
H 5.720037 2.506842 -0.293643
H 6.203049 -1.812487 -0.132753
H 0.105110 -3.620038 0.284487
H -1.530517 -2.919381 0.323150
H 7.210929 0.483904 -0.281829
H -2.755191 3.849014 0.235882
H -4.238565 2.776787 0.283569
H -6.316515 1.081358 0.155745
H -4.766318 -3.033419 -1.958336
H -3.276845 -2.060797 -1.621793
H -4.624562 -1.360129 -2.611597


