%chk=000296238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296238

0 1
S 4.551347 -0.385456 -0.144661
O 1.726665 0.529075 -0.096028
O 1.963260 -2.552953 -1.220953
O 1.117977 -2.068889 2.144417
O -2.335145 -0.432519 3.471134
N -0.433176 0.068267 -0.897978
N -2.311622 1.142344 -1.713879
N -1.192801 -0.306690 1.441981
N -3.488058 0.572023 1.791687
N -4.762314 1.644996 0.052432
C 1.173295 -1.811167 -0.307107
C 1.885118 -1.610077 1.058329
C 0.974514 -0.383139 -0.895725
C 2.167783 -0.087603 1.157860
C 3.637837 0.264400 1.281829
C -1.330451 0.146770 0.174252
C -1.092935 0.719805 -2.017268
C -2.506953 0.808016 -0.354155
C -3.617051 1.024622 0.486807
C 4.382456 0.932853 -1.400599
C -2.250901 -0.116863 2.309772
C 4.781337 0.322030 -2.725245
H 0.235565 -2.403764 -0.217188
H 2.801852 -2.244040 1.129570
H 1.382561 -0.283325 -1.932437
H 1.547969 0.386085 1.954712
H 4.079105 -0.183985 2.196752
H 3.777449 1.359026 1.370165
H 2.908176 -2.246501 -1.204868
H 0.241493 -1.586709 2.218069
H -0.597835 0.804871 -2.975279
H 3.338577 1.307938 -1.409462
H 5.034917 1.782857 -1.128981
H -4.247796 0.690027 2.469227
H 5.807639 -0.073543 -2.710188
H 4.120899 -0.502462 -3.025043
H 4.744652 1.071857 -3.528494
H -4.820574 1.959787 -0.911654
H -5.561729 1.796335 0.641899


%chk=000296238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296238

0 1
S 4.734890 -0.585089 -0.122685
O 1.679509 0.620496 -0.161327
O 2.196257 -2.271165 -1.345897
O 0.767812 -1.897678 2.049516
O -2.293344 -0.340813 3.638255
N -0.600321 0.114255 -0.853754
N -2.547530 1.052567 -1.657040
N -1.260553 -0.235819 1.513216
N -3.542406 0.550877 1.882543
N -4.935047 1.494468 0.165010
C 1.185951 -1.723887 -0.442315
C 1.716330 -1.546566 1.022848
C 0.825021 -0.288716 -0.923158
C 2.160171 -0.046953 1.094486
C 3.664521 0.206052 1.231915
C -1.476036 0.165347 0.239353
C -1.302087 0.668975 -1.953875
C -2.669044 0.745718 -0.288835
C -3.756705 0.945686 0.581621
C 4.699139 0.804195 -1.431840
C -2.301782 -0.048817 2.414617
C 5.183859 0.247500 -2.776888
H 0.334691 -2.420419 -0.474175
H 2.570431 -2.231344 1.164144
H 1.101760 -0.193317 -1.987673
H 1.638929 0.432677 1.946626
H 4.026166 -0.218121 2.184217
H 3.885876 1.286865 1.221896
H 3.090823 -1.887809 -1.083320
H -0.043765 -1.269814 1.971751
H -0.836867 0.754685 -2.933788
H 3.658455 1.161464 -1.474371
H 5.355386 1.611078 -1.063648
H -4.264965 0.652189 2.601840
H 6.205509 -0.166276 -2.701980
H 4.514136 -0.550631 -3.144141
H 5.201939 1.055086 -3.532288
H -5.003801 1.760257 -0.817607
H -5.730208 1.647096 0.780453


