%chk=000202871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202871

0 1
O 2.993560 -0.775360 1.083995
O 0.645199 -1.177597 2.533508
O 2.926647 -1.105166 -1.611563
O 2.385848 1.505379 -2.298483
N -1.131007 0.701900 0.027658
N -2.801167 -1.566356 0.215646
C 1.716813 -1.024513 0.473850
C 0.627359 -0.359754 1.348236
C 1.854473 -0.431853 -0.944753
C -0.742861 -0.412686 0.708929
C 2.149609 1.079523 -0.954727
C -1.575870 -1.546023 0.804964
C -2.349314 0.684026 -0.571757
C -3.185034 -0.467756 -0.467599
C -2.777816 1.888505 -1.332182
H 1.556352 -2.128255 0.428166
H 0.914323 0.683439 1.625091
H 0.970902 -0.676354 -1.580649
H 1.276991 1.683659 -0.637170
H 3.032263 1.327015 -0.336154
H 3.007031 -1.172020 1.988968
H 0.094751 -0.774027 3.238171
H -1.266143 -2.441971 1.357625
H 3.736347 -1.099557 -1.039479
H 2.988982 0.861936 -2.747104
H -4.172259 -0.497960 -0.942789
H -3.692609 2.330255 -0.910322
H -2.005292 2.678352 -1.327536
H -2.976877 1.648419 -2.388040


%chk=000202871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202871

0 1
O 2.998298 -0.978691 1.094626
O 0.729889 -1.053872 2.562653
O 3.113955 -1.099058 -1.586149
O 2.629102 1.514420 -2.331920
N -1.200740 0.728637 0.031188
N -2.806041 -1.616722 0.210931
C 1.699168 -1.032544 0.406068
C 0.635569 -0.322927 1.277640
C 1.946986 -0.415813 -0.983828
C -0.759759 -0.393741 0.683330
C 2.217160 1.105492 -0.988335
C -1.562948 -1.557155 0.778345
C -2.442694 0.683714 -0.544262
C -3.230124 -0.500089 -0.446230
C -2.931744 1.914333 -1.269179
H 1.391195 -2.092776 0.280553
H 0.910411 0.741283 1.410949
H 1.106102 -0.639763 -1.661463
H 1.294943 1.668053 -0.766534
H 2.997120 1.349412 -0.235396
H 2.849230 -1.293745 2.023926
H 0.206653 -0.580020 3.256159
H -1.217059 -2.442985 1.318067
H 3.772228 -1.220840 -0.847697
H 3.253037 0.805824 -2.649702
H -4.223210 -0.552192 -0.905497
H -3.853957 2.313387 -0.807728
H -2.155495 2.694191 -1.240189
H -3.166076 1.689386 -2.325827


