%chk=000215269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215269

0 1
S 1.113297 -1.780163 -0.900228
O -2.811673 -0.504929 1.080356
N -0.828222 0.666658 0.716954
N -2.252289 -0.136515 -1.135421
C 1.103416 2.103020 0.371015
C 0.731056 3.411324 -0.310377
C 2.085262 2.787363 -0.568368
C 0.429048 0.810849 -0.085403
C 1.319373 -0.373769 0.111383
C -1.903634 0.005502 0.121213
C 2.325702 -0.588544 1.006449
C 2.937549 -1.891384 0.878931
C -3.950240 -1.036577 0.321018
C -3.575435 -0.808427 -1.167719
C 2.390670 -2.652656 -0.108202
H 1.311218 2.127786 1.447021
H 0.654585 4.317422 0.286275
H -0.023480 3.411617 -1.096084
H 2.298856 2.346387 -1.540400
H 2.981110 3.246761 -0.156919
H 0.141564 0.904077 -1.176170
H -0.687815 0.445145 1.707794
H 2.664434 0.124891 1.745056
H -4.824189 -0.462801 0.659318
H -4.025924 -2.093187 0.612390
H -3.496905 -1.756116 -1.737738
H -4.305757 -0.163022 -1.696468
H 3.750654 -2.199279 1.522391
H 2.656268 -3.650833 -0.409966


%chk=000215269-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215269

0 1
S 1.379867 -2.495736 0.291371
O -3.019915 -0.628653 0.898547
N -0.725329 -0.223892 0.704332
N -2.237573 0.374126 -1.077631
C 0.868011 1.692572 0.405748
C 0.105671 2.840146 -0.267471
C 1.575102 2.580652 -0.632442
C 0.509840 0.248654 0.039985
C 1.654082 -0.700162 0.342209
C -1.953394 -0.111474 0.107166
C 2.986637 -0.420240 0.606048
C 3.813942 -1.591965 0.775956
C -4.251341 -0.388422 0.079346
C -3.704452 0.167637 -1.283724
C 3.117135 -2.780660 0.642077
H 1.155700 1.832207 1.455172
H -0.126960 3.722559 0.335939
H -0.663697 2.563397 -0.994160
H 1.786373 2.145134 -1.614730
H 2.333826 3.286611 -0.281897
H 0.279675 0.222722 -1.045392
H -0.689724 -0.536166 1.674417
H 3.365627 0.602065 0.667245
H -4.877062 0.337309 0.626594
H -4.778918 -1.351324 -0.011406
H -3.869799 -0.546264 -2.112431
H -4.186779 1.122852 -1.557779
H 4.883953 -1.549155 0.993950
H 3.478004 -3.803932 0.731062


