%chk=000290501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290501

0 1
S -4.514072 0.661530 0.003912
O 0.906640 -2.894631 0.204066
O 2.583451 1.607590 -0.453519
O -5.817336 0.050435 0.131585
O -4.122293 1.744286 0.866264
N 2.214817 -0.593435 0.094448
N -3.449965 -0.683605 0.234532
C 0.785272 -0.555571 0.152043
C -2.036457 -0.622970 0.255863
C 4.515389 0.156429 -0.248701
C 0.074969 -1.793379 0.209425
C 5.353745 1.400831 -0.575691
C -1.313190 -1.840800 0.259573
C 0.042124 0.629337 0.175222
C -1.354379 0.603496 0.232774
C 3.037457 0.500506 -0.227320
C 6.844091 1.082628 -0.608392
C -4.225690 1.119465 -1.649174
C 0.303168 -4.204201 0.340114
H 4.829057 -0.259464 0.730519
H 4.714725 -0.637273 -0.997114
H 5.026238 1.823579 -1.548164
H 5.143772 2.195691 0.169879
H -1.840290 -2.786697 0.296345
H 0.562808 1.597512 0.148325
H 2.624916 -1.516620 0.253622
H -1.884358 1.554640 0.319955
H -3.861501 -1.598571 0.462439
H 7.202329 0.704266 0.355728
H 7.429914 1.980329 -0.842096
H 7.085143 0.331302 -1.368789
H -3.176947 1.006243 -1.971428
H -4.821479 0.540740 -2.371882
H -4.466229 2.176908 -1.846863
H 1.184585 -4.858422 0.332279
H -0.347304 -4.410019 -0.515061
H -0.233720 -4.277484 1.290680


%chk=000290501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290501

0 1
S -4.654695 0.662001 0.086035
O 1.015910 -2.717542 0.179202
O 2.701486 1.841233 -0.705584
O -6.037934 -0.035519 0.575707
O -4.244102 2.144717 0.610974
N 2.207229 -0.415309 -0.301172
N -3.422817 -0.618574 0.467887
C 0.802754 -0.362244 -0.112244
C -2.013683 -0.480570 0.298441
C 4.541613 0.219610 -0.770320
C 0.148724 -1.607134 0.149085
C 5.505839 1.136888 0.022085
C -1.242442 -1.677005 0.332604
C 0.019661 0.812804 -0.153181
C -1.375443 0.761266 0.066694
C 3.077362 0.634562 -0.588568
C 6.985521 0.847097 -0.302631
C -4.559166 0.680116 -1.817906
C 0.439473 -4.034564 0.454516
H 4.701456 -0.840200 -0.489306
H 4.780204 0.307173 -1.849795
H 5.255465 2.185945 -0.219175
H 5.324596 1.009950 1.107350
H -1.744100 -2.637740 0.481280
H 0.521971 1.764823 -0.333760
H 2.602462 -1.356661 -0.219554
H -1.948591 1.692807 0.104513
H -3.804848 -1.254133 1.178456
H 7.257530 -0.197790 -0.059568
H 7.655251 1.511259 0.273193
H 7.194048 1.007916 -1.377365
H -3.517382 0.911494 -2.078654
H -4.868673 -0.321635 -2.141743
H -5.256474 1.467654 -2.135649
H 1.289535 -4.732196 0.447625
H -0.286147 -4.322866 -0.329941
H -0.052190 -4.053031 1.445868


