%chk=000222107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222107

0 1
S -2.063756 1.736447 0.046996
O -3.090327 2.323408 0.890760
O -1.618859 2.445416 -1.123362
O 3.770387 -1.987494 -1.726327
N -0.738016 1.706315 1.208934
N 1.501431 1.345211 1.918272
N 0.684349 0.435669 -0.205016
N -3.411991 -3.868820 -1.136175
C 2.979599 0.058225 0.494705
C 4.319783 -0.529504 0.178330
C -2.435758 0.117937 -0.288095
C 2.723616 0.798915 1.675473
C 0.511871 1.157550 0.967191
C 1.912646 -0.091852 -0.413410
C 4.234908 -1.961091 -0.367329
C -3.358711 -0.573252 0.516718
C -1.837158 -0.541176 -1.376909
C 3.757959 1.039964 2.724669
C -3.680401 -1.895763 0.258853
C -2.141416 -1.865193 -1.660709
C -3.068631 -2.556655 -0.840912
H 4.972162 -0.530736 1.076210
H 4.835043 0.124882 -0.558148
H -0.832682 2.232428 2.095543
H 2.044193 -0.670106 -1.346102
H 3.471818 -2.567421 0.158392
H 5.212458 -2.472458 -0.318308
H -3.836212 -0.054713 1.358451
H -1.120192 -0.000186 -2.011215
H 3.352642 1.624808 3.570054
H 4.138138 0.096762 3.140659
H 4.608384 1.609425 2.323412
H -4.398309 -2.417453 0.883637
H -1.672285 -2.362357 -2.504298
H 4.377092 -1.489276 -2.308515
H -3.965493 -4.409904 -0.496249
H -2.898584 -4.388455 -1.825978


%chk=000222107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222107

0 1
S -1.944956 1.574501 0.038132
O -3.048712 2.393333 0.912187
O -1.305233 2.209699 -1.307443
O 4.411452 -1.417860 -1.975830
N -0.624293 1.334375 1.336359
N 1.633999 1.306481 1.936070
N 0.857919 0.120937 -0.054829
N -4.238851 -3.886384 -1.162473
C 3.218386 0.018087 0.601077
C 4.639327 -0.467863 0.357911
C -2.606310 -0.127078 -0.310991
C 2.903115 0.847249 1.723681
C 0.668322 0.909865 1.046854
C 2.139234 -0.296948 -0.263563
C 4.793779 -1.683807 -0.578017
C -3.739347 -0.543860 0.411020
C -1.995445 -0.911162 -1.305883
C 3.946350 1.278221 2.730657
C -4.285056 -1.806100 0.123610
C -2.548323 -2.170620 -1.588696
C -3.697300 -2.638621 -0.878358
H 5.098183 -0.742867 1.329561
H 5.262723 0.367198 -0.032844
H -0.740351 2.012630 2.100801
H 2.310673 -0.899513 -1.160643
H 4.124172 -2.502740 -0.265102
H 5.840267 -2.051954 -0.530786
H -4.187691 0.116163 1.160409
H -1.105996 -0.542898 -1.823733
H 3.492736 1.982294 3.444103
H 4.342395 0.411732 3.294922
H 4.808176 1.767419 2.239749
H -5.170622 -2.152246 0.668747
H -2.090894 -2.801763 -2.359110
H 4.968351 -0.680115 -2.331596
H -5.058860 -4.225061 -0.667333
H -3.831622 -4.481228 -1.878418


