%chk=000259850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259850

0 1
S 2.736799 2.582699 -0.012272
O 3.474939 -2.036145 -0.000626
N -1.073438 -0.702967 0.001332
N -1.875170 1.455032 -0.004886
N 1.651172 0.203915 -0.002624
N 4.102143 0.196880 -0.003872
C -2.470467 -0.796077 0.002640
C -0.763308 0.681012 -0.003276
C -2.958189 0.562153 -0.001296
C 0.609489 1.172673 -0.005885
C -3.350997 -1.896638 0.006771
C -4.348716 0.808494 -0.001054
C 1.001977 2.481711 -0.011250
C -4.704141 -1.616861 0.006885
C -5.197298 -0.280937 0.003020
C 2.837569 0.780658 -0.005548
C 4.358457 -1.220655 -0.000793
C 5.828295 -1.526257 0.001908
H -0.402748 -1.457209 0.003243
H -2.971505 -2.913498 0.009710
H -4.713469 1.834018 -0.004018
H 0.366316 3.356461 -0.014143
H -5.426395 -2.433005 0.010009
H -6.275962 -0.130100 0.003347
H 4.898418 0.841291 -0.005006
H 6.345522 -1.139472 -0.887126
H 5.979936 -2.620678 0.003469
H 6.342471 -1.137397 0.891844


%chk=000259850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259850

0 1
S 2.817396 2.689247 -0.012941
O 3.327847 -2.094705 0.001918
N -1.022424 -0.591526 0.001271
N -1.903173 1.524639 -0.005307
N 1.617177 0.286090 -0.002805
N 4.041196 0.155918 -0.003530
C -2.408571 -0.765232 0.002671
C -0.773197 0.785633 -0.003456
C -2.946305 0.574664 -0.001510
C 0.601370 1.264866 -0.005940
C -3.232669 -1.909909 0.006926
C -4.347534 0.771268 -0.001384
C 1.023841 2.585500 -0.010928
C -4.626203 -1.688129 0.006948
C -5.174727 -0.369806 0.002870
C 2.815512 0.822223 -0.005444
C 4.255411 -1.252227 -0.000096
C 5.741603 -1.610737 0.001632
H -0.278294 -1.291733 0.003129
H -2.820422 -2.924219 0.010056
H -4.761763 1.783999 -0.004538
H 0.407120 3.480306 -0.013719
H -5.305411 -2.547987 0.010159
H -6.263480 -0.247957 0.003061
H 4.879444 0.741033 -0.004859
H 6.250544 -1.209905 -0.894721
H 5.838336 -2.705287 0.003556
H 6.249076 -1.206927 0.897485


