%chk=000299068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299068

0 1
S -1.590244 -2.143502 0.012722
O -0.110091 0.074938 -0.000466
N -2.323182 0.453117 -0.003786
C 2.277235 0.089620 0.000293
C 1.043200 -0.848418 0.005690
C 3.525483 -0.810530 0.006324
C 2.258924 0.975362 1.255336
C 2.259808 0.959664 -1.265694
C -1.345427 -0.489883 0.002535
C -2.024558 1.903764 -0.012914
C -3.757932 0.091615 -0.002068
H 0.978804 -1.468492 0.915616
H 0.979454 -1.479782 -0.896484
H 3.565415 -1.461733 -0.873481
H 4.440758 -0.207829 0.003006
H 3.564696 -1.450899 0.894076
H 2.323920 0.380777 2.172698
H 3.094664 1.681640 1.261218
H 1.329340 1.555001 1.309922
H 1.330386 1.538783 -1.328012
H 3.095714 1.665626 -1.279922
H 2.325153 0.353687 -2.175548
H -2.447857 2.380845 -0.913293
H -0.932437 2.086620 -0.013500
H -2.448805 2.392372 0.880807
H -3.907246 -1.008886 0.007190
H -4.253922 0.484673 -0.905652
H -4.255652 0.500050 0.893689


%chk=000299068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299068

0 1
S -1.647426 -2.208066 0.012155
O -0.144908 0.090807 0.000198
N -2.395060 0.448571 -0.003649
C 2.310005 0.108789 0.000220
C 1.052733 -0.787354 0.006502
C 3.532221 -0.849025 0.006406
C 2.340621 1.004194 1.265485
C 2.340230 0.987086 -1.276949
C -1.401186 -0.505352 0.002671
C -2.123756 1.899145 -0.011237
C -3.816288 0.071754 -0.003613
H 1.008669 -1.426563 0.907872
H 1.008843 -1.439318 -0.885691
H 3.536215 -1.505202 -0.884607
H 4.471995 -0.266541 0.001466
H 3.537536 -1.492225 0.906826
H 2.330158 0.391410 2.186879
H 3.256867 1.623688 1.278372
H 1.466529 1.678537 1.294249
H 1.465796 1.660538 -1.314850
H 3.256187 1.606780 -1.297925
H 2.330221 0.362088 -2.190092
H -2.570173 2.362654 -0.912263
H -1.042207 2.080626 -0.010748
H -2.572639 2.372402 0.883473
H -3.898732 -1.025759 0.003823
H -4.316853 0.470988 -0.906698
H -4.319997 0.483551 0.892028


