%chk=000276644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276644

0 1
S -6.338193 -2.289505 -0.553560
S -3.541669 -2.841228 -1.290448
O 2.619213 0.271373 0.072914
O -5.600172 1.146706 1.033496
N -4.435134 -0.610872 -0.013716
N -3.265034 0.072130 0.233200
C 3.846556 0.981048 0.430816
C 4.963482 0.036149 0.081475
C 1.421887 0.919114 0.274225
C -0.967651 0.657524 0.069787
C 0.315319 0.122831 -0.081200
C 1.269956 2.221939 0.766806
C -1.140693 1.963080 0.563917
C -6.850229 -0.795657 0.323875
C 6.182696 0.135603 0.768755
C 4.804542 -0.918226 -0.932115
C -0.026300 2.729369 0.906728
C -2.121617 -0.192736 -0.324821
C -5.633697 0.063832 0.528539
C -4.622726 -1.851015 -0.618119
C 7.238481 -0.716020 0.433940
C 5.862902 -1.771431 -1.256852
C 7.080723 -1.669922 -0.577427
H 3.807969 1.214326 1.510437
H 3.902031 1.910097 -0.167819
H 0.484053 -0.885857 -0.453055
H 2.122134 2.834252 1.038226
H -2.146906 2.367619 0.686932
H -7.318266 -1.050595 1.300568
H -7.627919 -0.245570 -0.250358
H 6.311230 0.869998 1.560971
H 3.848609 -0.995316 -1.453716
H -0.165429 3.740763 1.291342
H -1.879974 -0.977764 -1.060982
H 8.186019 -0.638276 0.964707
H 5.736668 -2.516014 -2.041452
H 7.904740 -2.333249 -0.833316


%chk=000276644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276644

0 1
S -6.417050 -2.387508 0.217613
S -3.621842 -2.751877 1.440692
O 2.587856 0.116932 0.190732
O -5.629635 1.329647 -0.966574
N -4.558194 -0.485527 0.113381
N -3.450003 0.364164 0.416471
C 3.854937 0.829834 0.441104
C 4.998527 -0.023014 -0.070168
C 1.396130 0.780674 0.512820
C -1.052799 0.633936 0.505557
C 0.211239 0.063419 0.222866
C 1.319420 2.071371 1.093270
C -1.135571 1.933772 1.085980
C -6.885412 -0.747657 -0.588394
C 6.251188 0.019476 0.589584
C 4.851298 -0.825304 -1.228220
C 0.047798 2.633621 1.371354
C -2.255583 -0.144351 0.178719
C -5.667774 0.166763 -0.516866
C -4.722334 -1.801725 0.593327
C 7.349133 -0.717496 0.091020
C 5.945890 -1.569856 -1.720601
C 7.199196 -1.514687 -1.066733
H 3.967346 1.028816 1.526221
H 3.823088 1.805076 -0.091499
H 0.297489 -0.936688 -0.215863
H 2.222173 2.639594 1.334737
H -2.119852 2.360247 1.296994
H -7.725486 -0.292063 -0.041089
H -7.173699 -0.911094 -1.638195
H 6.371242 0.625420 1.496654
H 3.876375 -0.873903 -1.722990
H -0.004014 3.632415 1.817944
H -2.106418 -1.132396 -0.281612
H 8.313527 -0.677089 0.609419
H 5.821910 -2.192791 -2.613535
H 8.047500 -2.091653 -1.451421


