%chk=000209650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209650

0 1
O 2.214083 0.638934 -0.037996
O 3.029347 -1.400065 0.595719
N 0.022231 2.030440 -1.270875
N 3.795975 0.561003 1.613117
C 0.105560 0.544198 -1.192564
C 1.578927 0.045308 -1.231131
C -0.601823 0.006651 0.085779
C 2.343916 0.593165 -2.437499
C 2.215394 2.117488 -2.543345
C 0.741653 2.553267 -2.468287
C -0.876051 -1.477635 -0.092546
C -1.880144 0.723627 0.473818
C 0.001766 -2.418946 0.466093
C -2.235092 0.745415 1.834186
C -1.989746 -1.923217 -0.820261
C -2.727795 1.330684 -0.463541
C 2.999746 -0.191453 0.738918
C -0.236704 -3.786182 0.303136
C -3.415309 1.367691 2.246479
C -2.225609 -3.291239 -0.979428
C -3.906782 1.955617 -0.045898
C -1.350857 -4.226433 -0.417871
C -4.254927 1.975433 1.307502
C 4.348518 -0.168024 2.782643
C 3.456912 1.983479 1.854880
H -0.413957 0.129842 -2.098621
H 1.647312 -1.064679 -1.162329
H 0.124252 0.144327 0.935420
H 1.968480 0.107687 -3.359638
H 3.412885 0.311146 -2.356298
H 2.789424 2.587661 -1.720062
H 2.673218 2.475437 -3.482832
H 0.420926 2.438811 -0.416426
H 0.664135 3.661540 -2.451478
H 0.194241 2.215563 -3.375459
H 0.888207 -2.094083 1.016689
H -1.594161 0.267324 2.572143
H -2.681870 -1.202685 -1.254662
H -2.458803 1.341471 -1.519710
H 0.452626 -4.508636 0.737829
H -3.682394 1.377427 3.301267
H -3.094923 -3.628302 -1.541037
H -4.554238 2.430490 -0.780619
H -1.535799 -5.290878 -0.541721
H -5.173115 2.460647 1.628966
H 5.319952 0.278740 3.054006
H 4.528079 -1.228825 2.516497
H 3.684540 -0.141171 3.660754
H 3.158323 2.461753 0.901750
H 4.349336 2.509707 2.232929
H 2.634435 2.115580 2.576010


%chk=000209650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209650

0 1
O 2.149734 0.508698 0.059275
O 3.600063 -1.314451 -0.276312
N 0.078010 2.255541 -1.116833
N 3.872515 0.137086 1.550727
C 0.015296 0.775139 -1.078260
C 1.420551 0.123382 -1.195659
C -0.771782 0.284416 0.176685
C 2.184885 0.653633 -2.425779
C 2.238883 2.198649 -2.450066
C 0.810627 2.783742 -2.294411
C -0.863765 -1.252162 0.186645
C -2.169272 0.906031 0.334282
C -0.030397 -2.022353 1.035191
C -2.802166 0.815210 1.601324
C -1.770388 -1.929822 -0.669425
C -2.883093 1.510732 -0.730010
C 3.248893 -0.306003 0.396988
C -0.093834 -3.434211 1.029186
C -4.109632 1.307499 1.803976
C -1.833999 -3.340097 -0.682070
C -4.194787 2.000254 -0.534466
C -0.995059 -4.099397 0.167885
C -4.815496 1.900810 0.731577
C 5.035941 -0.608029 2.053762
C 3.463633 1.329206 2.306200
H -0.534028 0.446193 -1.987899
H 1.362605 -0.978395 -1.224424
H -0.169819 0.580937 1.059827
H 1.656483 0.284348 -3.329348
H 3.195153 0.208246 -2.441901
H 2.877916 2.560324 -1.620815
H 2.695311 2.549879 -3.395933
H 0.454058 2.626625 -0.232641
H 0.840952 3.886170 -2.218785
H 0.216570 2.535541 -3.198552
H 0.678402 -1.512511 1.699613
H -2.266667 0.341506 2.434318
H -2.444670 -1.348146 -1.309470
H -2.399737 1.641388 -1.702025
H 0.563269 -4.011850 1.689000
H -4.577208 1.226480 2.792140
H -2.541693 -3.847612 -1.347798
H -4.728688 2.468986 -1.369417
H -1.045583 -5.194017 0.159387
H -5.831195 2.284206 0.882107
H 5.938088 0.034483 2.062188
H 5.214138 -1.471143 1.395383
H 4.851404 -0.967815 3.084612
H 2.615288 1.814148 1.806214
H 4.303045 2.049325 2.370865
H 3.165543 1.054301 3.337341


