%chk=000213006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213006

0 1
S 3.366966 1.157995 -1.468139
O -2.480414 0.339761 -0.205196
O 0.021416 -2.054055 -0.117475
O -2.988531 2.578561 -0.363634
O 1.765242 -2.839279 1.160037
N -4.416306 1.067107 0.689817
N 1.332541 -3.677973 -0.970825
C -0.114356 0.329793 0.406920
C -0.347268 1.300869 1.595774
C -1.135933 0.575217 -0.728808
C -0.339468 -1.110521 0.936068
C 1.291986 0.507989 -0.119946
C -0.197438 2.770951 1.224368
C 2.447529 0.027660 0.623038
C 1.639863 1.142797 -1.276866
C 3.634350 0.301967 0.023545
C -3.275826 1.456260 -0.004735
C 1.133633 -2.846804 0.123153
H 0.366692 1.055098 2.407976
H -1.361141 1.127109 2.010533
H -1.056007 -0.194222 -1.520279
H -1.070315 1.594496 -1.151366
H -1.415866 -1.320344 1.091619
H 0.232878 -1.326257 1.856598
H -0.983269 3.101102 0.526607
H 0.771281 2.980139 0.754922
H -0.274535 3.409195 2.112282
H 2.340370 -0.518349 1.555833
H 1.007755 1.605392 -2.013652
H 4.626836 0.056940 0.360443
H -5.206515 1.697669 0.700834
H -4.625772 0.086176 0.804344
H 2.207153 -4.178773 -1.040267
H 0.838973 -3.506363 -1.833723


%chk=000213006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213006

0 1
S 3.395923 1.416350 -1.594608
O -2.476080 0.359287 -0.097326
O 0.035289 -2.087088 -0.077411
O -3.138854 2.565841 -0.644267
O 1.745002 -3.081828 1.222937
N -4.604454 1.017072 0.334277
N 1.210187 -3.828306 -0.936033
C -0.056146 0.352398 0.455355
C -0.275717 1.300040 1.689289
C -1.118190 0.602227 -0.645654
C -0.222678 -1.094995 0.992318
C 1.346465 0.564328 -0.127865
C -0.203910 2.812239 1.389249
C 2.553931 0.059040 0.505348
C 1.635177 1.309124 -1.264405
C 3.721547 0.419164 -0.138745
C -3.393771 1.427197 -0.178149
C 1.071907 -3.012654 0.163481
H 0.490651 1.045321 2.447960
H -1.260445 1.058730 2.137402
H -0.986515 -0.120101 -1.468389
H -1.085640 1.634626 -1.031487
H -1.267488 -1.250930 1.307727
H 0.457371 -1.300770 1.836889
H -1.016854 3.139649 0.717363
H 0.761391 3.081753 0.925151
H -0.298713 3.385599 2.329588
H 2.553699 -0.577150 1.393887
H 0.959960 1.823711 -1.945323
H 4.749264 0.167465 0.115209
H -5.376067 1.677643 0.347824
H -4.727392 0.064754 0.669369
H 1.923893 -4.550727 -0.920309
H 0.633761 -3.681703 -1.760853


