%chk=000218783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218783

0 1
S 6.783521 0.798678 -0.967727
S 7.460566 0.160000 0.867627
O -1.973144 0.124306 -0.075083
O 7.504008 -1.480413 0.535238
O 8.816128 0.559578 1.042448
O 6.445900 0.351870 1.847567
N 2.802671 0.075880 -0.509890
N -3.370509 1.863500 0.630898
C 0.354298 0.166759 -0.247702
C 1.673578 0.909131 0.008613
C -0.833765 1.037866 0.141925
C 4.132007 0.702810 -0.224485
C -4.297435 -0.326148 -0.047567
C 5.153157 -0.001259 -1.115672
C -3.217240 0.606800 0.187347
C -5.607114 0.152160 0.221392
C -4.100398 -1.652613 -0.520497
C -6.711374 -0.727252 0.007188
C -5.770812 1.494526 0.695611
C -5.183011 -2.478054 -0.718072
C -4.666007 2.293008 0.881396
C -6.498789 -2.007070 -0.450356
H 0.280040 -0.123289 -1.318314
H 0.317648 -0.789324 0.313108
H 1.680366 1.874842 -0.546930
H 1.772844 1.157005 1.088467
H -0.971781 1.919398 -0.506715
H -0.836084 1.342656 1.202159
H 2.767547 -0.857837 -0.083113
H 4.424290 0.637562 0.852206
H 4.085285 1.787865 -0.473093
H 4.861034 0.077033 -2.187815
H 5.227455 -1.085723 -0.898167
H -3.079906 -1.986754 -0.718095
H -7.717108 -0.365040 0.212287
H -6.771569 1.862910 0.902035
H -5.050488 -3.495764 -1.079613
H -7.338983 -2.682462 -0.615575
H -4.736156 3.325592 1.241282
H 8.323732 -1.957532 0.748789


%chk=000218783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218783

0 1
S 6.874509 0.938777 -1.160131
S 7.665644 0.032280 1.016288
O -2.010939 0.019880 -0.060540
O 7.643826 -1.798636 0.633984
O 9.181379 0.484978 1.338180
O 6.492796 0.148649 2.114967
N 2.866858 0.206277 -0.403590
N -3.399359 1.805908 0.598955
C 0.390796 0.138996 -0.220044
C 1.669130 0.979294 -0.025711
C -0.861876 0.935040 0.152770
C 4.159116 0.907781 -0.353212
C -4.384858 -0.365147 -0.034262
C 5.213535 0.061084 -1.082836
C -3.276526 0.538609 0.186111
C -5.707459 0.160267 0.213815
C -4.220169 -1.713462 -0.474433
C -6.835116 -0.698070 0.007630
C -5.828811 1.523287 0.656909
C -5.341725 -2.528063 -0.666583
C -4.678198 2.287098 0.831301
C -6.654527 -2.015952 -0.424013
H 0.325844 -0.190044 -1.272715
H 0.437664 -0.772414 0.408576
H 1.630609 1.880147 -0.670016
H 1.722203 1.344259 1.029689
H -0.994798 1.831917 -0.480292
H -0.857132 1.264301 1.208697
H 2.893858 -0.730324 0.021229
H 4.513293 1.122759 0.681684
H 4.045519 1.879598 -0.870321
H 4.921365 -0.142461 -2.130590
H 5.376091 -0.914562 -0.586778
H -3.208844 -2.088461 -0.655526
H -7.842024 -0.306702 0.193580
H -6.815495 1.953456 0.854718
H -5.218626 -3.562753 -1.004240
H -7.523556 -2.665102 -0.578969
H -4.729836 3.327494 1.167903
H 8.500242 -2.014781 0.160915


