%chk=000198116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198116

0 1
S 2.558146 0.588557 1.761301
P 2.946235 0.202739 -0.058142
O -2.863342 -1.183684 -0.328978
O 2.497438 -1.398443 -0.556383
O 2.621064 1.190224 -1.308245
O 4.525466 -0.037000 -0.432737
N -0.739626 -0.132413 -0.243689
N 0.561998 -0.254724 -0.307025
C -5.768580 0.938404 0.636613
C -4.946661 -0.169126 -0.056049
C -3.457408 0.145234 -0.053424
C -7.224872 0.481818 0.788870
C -5.695967 2.255874 -0.143592
C -1.511608 -1.255748 -0.395187
C -0.964987 -2.555816 -0.634664
C 1.141932 -1.475818 -0.528487
C 0.408234 -2.674522 -0.705194
C 1.899664 2.435055 -1.024849
C 5.284158 -0.924353 0.454548
C 2.858905 3.487249 -0.506843
C 6.663096 -0.927769 -0.177904
H -5.345853 1.108151 1.659279
H -5.113808 -1.141004 0.456048
H -5.304137 -0.325431 -1.092189
H -3.074346 0.491862 0.921428
H -3.143640 0.833098 -0.855096
H -7.695649 0.291805 -0.181995
H -7.827135 1.243346 1.297168
H -7.300209 -0.438824 1.377514
H -6.312888 3.029639 0.327694
H -4.673287 2.643837 -0.192667
H -6.054057 2.139235 -1.172393
H -1.637020 -3.405853 -0.752154
H 0.920044 -3.618917 -0.883826
H 1.036617 2.258271 -0.352713
H 1.529839 2.665789 -2.045984
H 4.818975 -1.928232 0.446795
H 5.295691 -0.500606 1.477981
H 3.037014 3.404857 0.575404
H 3.837581 3.416041 -1.003858
H 2.473291 4.497572 -0.690065
H 6.618627 -1.279886 -1.218450
H 7.084220 0.086836 -0.212591
H 7.357346 -1.569826 0.374329


%chk=000198116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198116

0 1
S 3.146602 0.726385 2.043868
P 3.312846 0.303602 0.033084
O -2.983203 -1.281569 -0.150321
O 2.468255 -1.212922 -0.492985
O 3.009602 1.484154 -1.163642
O 4.844102 -0.170121 -0.575831
N -0.941763 -0.090365 -0.110029
N 0.430651 -0.099131 -0.197520
C -6.004072 0.987026 0.518373
C -5.156486 -0.260082 0.144497
C -3.657633 0.033443 0.078252
C -7.484368 0.580526 0.710111
C -5.884738 2.116379 -0.534918
C -1.607229 -1.273575 -0.236070
C -0.956726 -2.526334 -0.454851
C 1.088529 -1.267576 -0.400069
C 0.434849 -2.525773 -0.537661
C 2.056255 2.610527 -0.875579
C 5.610581 -1.214027 0.170745
C 2.807406 3.815513 -0.311736
C 6.993858 -1.250060 -0.470713
H -5.627659 1.378370 1.488011
H -5.323830 -1.054805 0.897251
H -5.498215 -0.660568 -0.830401
H -3.272113 0.467121 1.020208
H -3.381609 0.710530 -0.749283
H -7.906274 0.184961 -0.233996
H -8.097628 1.448265 1.015593
H -7.591395 -0.202825 1.483419
H -6.540553 2.966729 -0.271775
H -4.853619 2.505360 -0.617349
H -6.192092 1.750347 -1.533869
H -1.550484 -3.438638 -0.547121
H 1.016634 -3.435471 -0.699962
H 1.259011 2.240191 -0.207686
H 1.625180 2.815366 -1.869623
H 5.080704 -2.179112 0.067548
H 5.654993 -0.931353 1.240387
H 3.224868 3.590436 0.684438
H 3.628327 4.117642 -0.984567
H 2.109011 4.668052 -0.210844
H 6.919811 -1.500385 -1.542299
H 7.494140 -0.272097 -0.372883
H 7.615976 -2.016637 0.027396


