%chk=000229176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229176

0 1
S -0.451504 -2.617754 0.361641
S 2.882134 1.001560 1.390254
O -1.044640 -3.725364 -0.355768
O -0.058954 -2.777209 1.732354
O -4.912469 2.119577 -0.981125
O -3.648447 3.214476 0.392880
N 0.937489 -2.261115 -0.626672
N 1.589922 -1.130913 -0.237304
N -3.952376 2.216304 -0.236549
C -1.457380 -1.210474 0.192174
C -2.584526 -1.275695 -0.633477
C -1.138879 -0.037735 0.879839
C -3.079124 1.015968 -0.084349
C -3.408704 -0.156804 -0.777182
C -1.954512 1.092465 0.743942
C 2.748577 -0.771022 -0.732622
C 3.270455 0.496040 -0.235026
C 3.563771 -1.523825 -1.738959
C 4.055626 1.432851 -0.846407
C 4.347898 2.563401 0.001220
C 3.785861 2.476116 1.239303
H -2.827930 -2.204343 -1.167949
H -0.249764 0.010499 1.523500
H 1.381497 -2.965636 -1.231963
H -4.296894 -0.186899 -1.418083
H -1.718822 2.023044 1.272842
H 3.678527 -2.582654 -1.465668
H 4.583186 -1.121222 -1.833372
H 3.105505 -1.477752 -2.737987
H 4.428239 1.368165 -1.859069
H 4.958657 3.386679 -0.345538
H 3.851381 3.178171 2.052920


%chk=000229176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229176

0 1
S -0.402450 -2.538072 0.374757
S 2.612081 1.623761 0.850738
O -1.034143 -3.875338 -0.302459
O 0.192607 -2.519131 1.889228
O -5.378648 1.911526 -0.974692
O -4.308978 3.033173 0.698820
N 0.922809 -1.922601 -0.971043
N 1.626989 -0.859975 -0.479778
N -4.444767 2.024583 -0.092768
C -1.637350 -1.123891 0.221893
C -2.656924 -1.248039 -0.735767
C -1.489146 -0.025960 1.084807
C -3.455326 0.914810 0.018172
C -3.594222 -0.199954 -0.838016
C -2.426003 1.022807 0.978445
C 2.871877 -0.606244 -0.883931
C 3.502738 0.589051 -0.348877
C 3.591300 -1.484014 -1.891440
C 4.771994 1.118274 -0.604269
C 5.063549 2.319331 0.129296
C 4.020255 2.725366 0.949567
H -2.721303 -2.141429 -1.364484
H -0.677103 -0.000715 1.817005
H 1.444415 -2.793488 -1.236216
H -4.416129 -0.230326 -1.557383
H -2.370793 1.909390 1.614681
H 3.599536 -2.542565 -1.558942
H 4.636678 -1.178636 -2.035791
H 3.080565 -1.449460 -2.872370
H 5.482413 0.664515 -1.299024
H 6.008709 2.861005 0.049790
H 3.968573 3.591149 1.607849


