%chk=000213551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213551

0 1
S -3.284347 1.109210 0.414565
O 0.772493 -2.958985 0.138755
O -2.733909 -0.915784 2.162553
N -0.930843 -1.894218 1.156822
N -2.895207 3.321794 -1.336697
C 0.307975 -0.710321 -0.726119
C -1.039411 0.037942 -0.867806
C 0.801759 -1.191166 -2.116273
C -1.603564 0.401358 0.495954
C 1.402336 0.171270 -0.128219
C 0.110468 -1.946149 0.175858
C -1.835980 -0.825269 1.355118
C -0.145791 -2.159258 -2.812743
C 2.451142 -0.395221 0.612810
C 1.403684 1.555039 -0.362501
C 3.461783 0.413906 1.138765
C 2.416592 2.361447 0.163258
C 3.445506 1.794670 0.920847
C -3.020485 2.416750 -0.630599
H -1.755297 -0.594016 -1.440019
H -0.895774 0.945514 -1.493796
H 1.793615 -1.679693 -1.988687
H 0.982516 -0.304843 -2.756952
H -0.915200 1.107748 1.034084
H -1.052637 -2.732146 1.749214
H -0.245132 -3.101162 -2.254960
H -1.149717 -1.741849 -2.950692
H 0.233170 -2.423490 -3.808967
H 2.499872 -1.474937 0.776967
H 0.620099 2.014922 -0.966239
H 4.267423 -0.037283 1.718077
H 2.403746 3.435371 -0.022344
H 4.232514 2.423848 1.333670


%chk=000213551-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213551

0 1
S -3.359837 1.247393 0.426169
O 0.784643 -3.030626 0.157174
O -2.752278 -0.945297 2.282567
N -0.938299 -1.896167 1.184567
N -2.550427 3.452582 -1.350637
C 0.277606 -0.760980 -0.716483
C -1.102690 -0.052973 -0.869430
C 0.815492 -1.245260 -2.107173
C -1.647134 0.359211 0.503854
C 1.361134 0.171315 -0.095030
C 0.089672 -1.983840 0.209005
C -1.853631 -0.852084 1.408641
C -0.123530 -2.167433 -2.913352
C 2.476482 -0.378960 0.589394
C 1.316199 1.577511 -0.289881
C 3.505758 0.453640 1.081181
C 2.347802 2.409530 0.199397
C 3.446351 1.852493 0.891055
C -2.855693 2.542433 -0.631361
H -1.818927 -0.740343 -1.353178
H -1.006311 0.825050 -1.529158
H 1.767950 -1.773206 -1.920300
H 1.059141 -0.340087 -2.695955
H -0.969441 1.073315 1.004218
H -1.037293 -2.716947 1.796609
H -0.396977 -3.068655 -2.335920
H -1.049901 -1.657261 -3.233022
H 0.391213 -2.508426 -3.829299
H 2.550092 -1.462475 0.732730
H 0.486836 2.044904 -0.832190
H 4.355109 0.007054 1.609757
H 2.289766 3.491358 0.037018
H 4.244520 2.498227 1.272737


