%chk=000224733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224733

0 1
S 3.125724 -1.608762 -0.571978
O -4.354385 3.395927 -0.005827
N 7.356888 0.147945 0.262600
N -1.925237 -0.667982 -0.184849
N -4.265912 -2.152198 0.001568
C 7.177836 -0.933426 -0.761833
C 5.814114 -1.631734 -0.588756
C 4.665829 -0.645898 -0.752150
C 8.466574 1.081223 -0.127986
C 7.591345 -0.433919 1.627366
C 0.519979 -1.003093 -0.373910
C 1.862528 -0.293816 -0.482148
C -0.619673 0.025997 -0.288311
C 8.009574 1.994799 -1.266621
C 7.315701 0.620039 2.700701
C -3.120219 0.009458 -0.093304
C -4.358788 -0.772261 0.005260
C -5.606603 -0.091770 0.100792
C -3.202522 1.401402 -0.090455
C -4.470859 2.024663 0.006817
C -5.662256 1.324763 0.101482
C -6.787473 -0.902428 0.194939
C -6.682582 -2.269226 0.190273
C -5.384263 -2.866793 0.090591
C -5.567157 4.182685 0.086920
H 7.986561 -1.695256 -0.732072
H 7.222359 -0.466856 -1.771702
H 5.739780 -2.453514 -1.329967
H 5.765751 -2.114128 0.411590
H 4.726965 0.151070 0.016101
H 4.690581 -0.149095 -1.737514
H 8.720144 1.707198 0.757883
H 9.398160 0.547631 -0.414814
H 6.884523 -1.285008 1.767299
H 8.614973 -0.848182 1.749734
H 0.502058 -1.664591 0.519584
H 0.363384 -1.671625 -1.248419
H 1.916793 0.343793 -1.383176
H 2.055367 0.352950 0.393439
H -0.479221 0.689060 0.598242
H -0.618290 0.683895 -1.189671
H 7.856193 1.443015 -2.200753
H 7.054580 2.477778 -1.018973
H 8.745537 2.782127 -1.457835
H 8.052488 1.430981 2.680175
H 6.329714 1.080714 2.550685
H 7.330787 0.175435 3.700824
H -1.926103 -1.688510 -0.182121
H -2.327341 2.037243 -0.160200
H -6.621087 1.816810 0.174964
H -7.754744 -0.408062 0.269080
H -7.558101 -2.910421 0.260176
H -5.282268 -3.956801 0.085436
H -6.215395 3.980748 -0.770709
H -6.074326 3.985250 1.035773
H -5.175085 5.206960 0.053761


%chk=000224733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224733

0 1
S 3.172105 -1.917226 -0.620704
O -4.361048 3.536605 -0.145192
N 7.398343 0.125033 0.301206
N -1.925496 -0.633017 -0.183511
N -4.201349 -2.061494 0.101644
C 7.286368 -0.915235 -0.756806
C 5.980186 -1.741479 -0.667585
C 4.732035 -0.856655 -0.812778
C 8.280387 1.254993 -0.102289
C 7.780959 -0.450379 1.621264
C 0.481579 -1.128194 -0.417636
C 1.886152 -0.526712 -0.588016
C -0.602926 -0.033110 -0.339052
C 7.613812 2.214509 -1.106814
C 7.344431 0.425715 2.811186
C -3.098760 0.082378 -0.103747
C -4.327791 -0.688686 0.049590
C -5.594276 -0.002484 0.138557
C -3.180897 1.484995 -0.161020
C -4.448267 2.136769 -0.071148
C -5.649588 1.426222 0.076826
C -6.755712 -0.830583 0.288238
C -6.622670 -2.222240 0.340428
C -5.320998 -2.802287 0.243206
C -5.609704 4.295787 -0.065624
H 8.160152 -1.615407 -0.736622
H 7.312425 -0.409127 -1.739703
H 5.997643 -2.510985 -1.464771
H 5.932588 -2.284732 0.295891
H 4.730033 -0.078837 -0.030907
H 4.701304 -0.371926 -1.805814
H 8.533520 1.825884 0.809280
H 9.251177 0.882935 -0.520319
H 7.289557 -1.435727 1.716117
H 8.883452 -0.642436 1.674432
H 0.451501 -1.740699 0.504940
H 0.261336 -1.803581 -1.267206
H 1.964200 0.037794 -1.534852
H 2.134804 0.146679 0.252538
H -0.384606 0.646377 0.514511
H -0.570925 0.591613 -1.259162
H 7.363075 1.711756 -2.058515
H 6.679828 2.620444 -0.680332
H 8.291147 3.056336 -1.343564
H 7.822788 1.421746 2.791994
H 6.250625 0.573631 2.791687
H 7.619376 -0.057857 3.767210
H -2.041911 -1.650785 -0.123800
H -2.292703 2.111412 -0.274219
H -6.618228 1.928897 0.146503
H -7.743727 -0.360636 0.360881
H -7.497204 -2.870752 0.454091
H -5.188716 -3.889556 0.281175
H -6.291990 4.034261 -0.897849
H -6.122897 4.124707 0.900769
H -5.311598 5.351547 -0.146602


