%chk=000272772.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272772

0 1
S -0.010585 0.059370 0.349292
O -0.056209 -1.369462 0.565362
O 0.205664 0.967566 1.458311
N -1.497281 0.556928 -0.363768
C -2.488628 -0.485458 -0.762743
C -3.129841 -1.210214 0.440894
C -3.572455 0.169650 -1.648618
C -4.078997 -0.308716 1.235311
C -4.539508 1.054461 -0.851503
C -5.160025 0.295992 0.329240
C 1.128801 0.434276 -0.945397
C 2.539079 0.172445 -0.518226
C 3.315452 -0.779552 -1.195953
C 3.097157 0.896641 0.548329
C 4.641439 -0.999994 -0.811043
C 4.421784 0.670048 0.926179
C 5.198013 -0.275366 0.246572
H -1.935819 -1.247164 -1.377191
H -2.339824 -1.623577 1.103474
H -3.681133 -2.095376 0.067957
H -4.138708 -0.632871 -2.159764
H -3.091687 0.765557 -2.448024
H -3.509628 0.496593 1.737673
H -4.551622 -0.891223 2.049373
H -5.338451 1.427055 -1.520537
H -4.011736 1.955253 -0.483549
H -5.821870 -0.507063 -0.048474
H -5.807452 0.974744 0.915082
H -1.964747 1.357547 0.089870
H 0.879614 -0.132430 -1.868884
H 1.033199 1.497129 -1.266793
H 2.889186 -1.354595 -2.015126
H 2.489775 1.621775 1.098901
H 5.240071 -1.742179 -1.337142
H 4.849294 1.230212 1.757161
H 6.229878 -0.449299 0.544551


%chk=000272772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272772

0 1
S 0.018730 -0.238330 0.316806
O 0.103991 -1.815582 -0.091170
O 0.193292 0.247900 1.865938
N -1.613729 0.456274 -0.374869
C -2.612624 -0.627610 -0.669583
C -3.326382 -1.181935 0.593179
C -3.637188 -0.052030 -1.683871
C -4.273537 -0.139520 1.236037
C -4.590422 0.983595 -1.039448
C -5.298025 0.400029 0.208067
C 1.302393 0.785484 -0.826961
C 2.701174 0.410478 -0.497452
C 3.345431 -0.644861 -1.198464
C 3.402085 1.088378 0.536943
C 4.672780 -1.002171 -0.883115
C 4.728602 0.728147 0.851550
C 5.367908 -0.314943 0.140230
H -2.040097 -1.443068 -1.150396
H -2.573478 -1.539531 1.320655
H -3.919810 -2.066825 0.286953
H -4.232764 -0.902283 -2.074645
H -3.093361 0.393704 -2.536311
H -3.687031 0.707471 1.653258
H -4.795473 -0.595642 2.098442
H -5.339669 1.312470 -1.784645
H -4.016971 1.888841 -0.751925
H -5.963650 -0.430332 -0.107302
H -5.943590 1.167472 0.676882
H -1.935057 1.071104 0.402058
H 0.949677 0.493870 -1.826318
H 1.013954 1.816869 -0.576554
H 2.800639 -1.186588 -1.980019
H 2.900269 1.884501 1.098488
H 5.163277 -1.815939 -1.427940
H 5.262076 1.253242 1.651115
H 6.398783 -0.593935 0.385184


