%chk=000191716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191716

0 1
S 3.276671 -1.483654 -0.706393
O 3.786294 -2.536800 0.212812
O -6.135530 1.370698 -0.406896
O -5.420034 -0.442085 0.800724
N -0.544282 -0.203849 -0.578588
N -2.509417 -0.865518 0.411128
N -3.975565 0.877135 -0.561505
C -1.180428 -1.151970 0.304291
C 1.546433 -1.263685 -0.287077
C 0.814161 -0.260761 -0.866784
C -1.534159 0.690469 -1.018361
C -0.375578 -2.171267 0.890040
C 0.961652 -2.219390 0.594276
C -2.724947 0.256080 -0.393386
C 3.884242 0.086518 -0.109445
C 4.345722 0.208877 1.199094
C 3.945239 1.155670 -1.003046
C 4.864226 1.435535 1.631603
C 4.461915 2.380384 -0.567140
C 4.918059 2.519359 0.749668
C -5.174704 0.462161 0.050336
C -7.478683 1.141934 0.096958
H 1.223792 0.501724 -1.533917
H -1.356368 1.506098 -1.683363
H -0.863687 -2.881611 1.561435
H 1.611118 -2.990487 1.033292
H -4.009726 1.695419 -1.177342
H 4.311934 -0.649005 1.878768
H 3.609095 1.050429 -2.033631
H 5.225863 1.542659 2.653549
H 4.514548 3.224568 -1.252491
H 5.320059 3.474859 1.086271
H -8.045265 1.949324 -0.379721
H -7.482288 1.226146 1.188771
H -7.827462 0.153034 -0.218629


%chk=000191716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191716

0 1
S 3.291802 -1.428647 -0.939583
O 3.798788 -2.634335 0.102187
O -6.330474 1.197174 -0.592178
O -5.426798 -0.156893 1.115826
N -0.695172 -0.275103 -0.824476
N -2.512340 -0.640639 0.547962
N -4.154294 0.663093 -0.734468
C -1.190342 -0.910551 0.375502
C 1.471939 -1.158365 -0.425201
C 0.627563 -0.405752 -1.224882
C -1.773656 0.403624 -1.393701
C -0.294632 -1.690416 1.154118
C 1.039048 -1.822126 0.755878
C -2.864545 0.156920 -0.527042
C 4.019157 0.161365 -0.143102
C 4.719968 -0.023356 1.057405
C 3.900807 1.408915 -0.780645
C 5.312344 1.108198 1.665558
C 4.499332 2.532894 -0.162067
C 5.200110 2.381399 1.058249
C -5.289018 0.482143 0.056449
C -7.633986 1.130024 0.096812
H 0.928248 0.087311 -2.152505
H -1.689170 0.973880 -2.313807
H -0.686823 -2.175363 2.050654
H 1.766752 -2.432550 1.303589
H -4.305414 1.238651 -1.564527
H 4.789834 -1.034640 1.478585
H 3.365794 1.519472 -1.731471
H 5.862330 0.994418 2.605899
H 4.421955 3.518310 -0.634156
H 5.663647 3.254190 1.531141
H -8.313738 1.727470 -0.527327
H -7.556151 1.553533 1.112661
H -7.979962 0.084750 0.167963


