%chk=000223363.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223363

0 1
S -0.213217 1.059489 -0.990817
O -0.596792 0.045983 1.399238
N 3.752705 0.687242 -0.186737
C 4.879630 0.081759 -0.986477
C 5.342763 -1.198446 -0.237208
C 3.935673 0.198521 1.219001
C -3.535200 0.480258 0.845126
C 4.715751 -1.133368 1.165568
C -2.506141 -0.173913 -0.108951
C -3.437532 2.034999 0.864480
C 2.405259 0.334925 -0.744555
C -2.603875 -1.712954 -0.082545
C 5.999125 1.121994 -1.093959
C -4.863919 2.561827 0.574072
C -4.964388 0.204206 0.419740
C 1.416190 1.390018 -0.252792
C -1.115013 0.220733 0.334566
C -5.679711 1.327259 0.285957
C -1.759855 -2.371069 -1.181998
C -1.931835 -3.887995 -1.182190
H 4.534226 -0.179011 -2.015750
H 6.441520 -1.255926 -0.181772
H 5.015122 -2.102333 -0.774971
H 2.974325 0.096081 1.755003
H 4.522426 0.977349 1.751175
H -3.373385 0.082300 1.876307
H 5.484217 -1.174426 1.953805
H 4.045677 -1.991412 1.339896
H -2.719872 0.183643 -1.149988
H -2.728822 2.413197 0.109345
H -3.070056 2.389022 1.840211
H 2.070208 -0.686210 -0.458852
H 2.460249 0.352256 -1.856470
H -3.664904 -2.011366 -0.203369
H -2.297944 -2.094551 0.912640
H 6.408442 1.376234 -0.109064
H 6.818733 0.763816 -1.722448
H 5.618814 2.056981 -1.525192
H -5.273792 3.116832 1.436480
H -4.872915 3.259482 -0.281480
H -5.299635 -0.808314 0.272896
H 1.338074 1.393625 0.855055
H 1.730526 2.409545 -0.553143
H -6.717620 1.415313 0.011071
H -2.040606 -1.961865 -2.172927
H -0.689294 -2.118608 -1.046055
H -1.629966 -4.329829 -0.225357
H -1.320539 -4.353746 -1.963932
H -2.972422 -4.179348 -1.364729


%chk=000223363-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223363

0 1
S -0.178175 1.280801 -1.208706
O -0.474562 -0.187663 1.092861
N 3.702047 0.334779 -0.003755
C 4.907049 -0.284628 -0.636489
C 5.865703 -0.451175 0.564267
C 3.619170 -0.069284 1.436619
C -3.424401 0.499119 0.770696
C 4.921194 -0.871097 1.717552
C -2.485304 -0.118173 -0.321618
C -3.306538 2.057459 0.890663
C 2.442839 0.247704 -0.756049
C -2.645770 -1.661757 -0.443900
C 5.479201 0.578590 -1.774321
C -4.744143 2.577423 1.206205
C -4.915215 0.298453 0.511333
C 1.514682 1.416808 -0.371729
C -1.037647 0.209212 0.046146
C -5.631874 1.427124 0.751950
C -1.787880 -2.296388 -1.562493
C -2.032883 -3.814812 -1.694178
H 4.666645 -1.301478 -1.042992
H 6.342842 0.522014 0.786729
H 6.660349 -1.190815 0.363406
H 2.712067 -0.683706 1.627492
H 3.551704 0.825335 2.085996
H -3.143926 0.016827 1.732133
H 5.341530 -0.656524 2.715001
H 4.721708 -1.957547 1.663665
H -2.723214 0.351495 -1.296935
H -2.972291 2.469988 -0.080290
H -2.565554 2.362993 1.648987
H 1.903081 -0.714907 -0.571027
H 2.664268 0.298226 -1.837814
H -3.711512 -1.887331 -0.640198
H -2.388804 -2.122652 0.530432
H 5.734046 1.583164 -1.392147
H 6.390358 0.113923 -2.196134
H 4.754485 0.700382 -2.600688
H -4.884343 2.766819 2.290692
H -4.972489 3.527789 0.687912
H -5.348430 -0.665472 0.225279
H 1.312983 1.414533 0.712655
H 1.939438 2.387340 -0.672450
H -6.722050 1.507612 0.678099
H -2.012498 -1.796757 -2.526511
H -0.714417 -2.111621 -1.360033
H -1.790551 -4.338286 -0.750163
H -1.410541 -4.255497 -2.494322
H -3.091974 -4.028141 -1.933925


