%chk=000206738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206738

0 1
O -1.002701 2.073081 -1.059957
O 0.235111 0.609758 -2.206506
O 1.174334 -0.331717 2.004385
N -2.249674 -0.697384 -0.568386
N 2.569452 -0.568536 0.229282
C -2.719833 -1.843385 0.282299
C -3.359826 0.316042 -0.478063
C -3.681891 -1.290521 1.354429
C -4.109507 0.099847 0.853031
C -0.932781 -0.120531 -0.127206
C 0.148866 -1.202433 0.029019
C -0.486088 0.811684 -1.259348
C 1.321127 -0.665054 0.833176
C 2.843039 -0.921998 -1.186639
C 3.718249 -0.063380 1.034761
C 3.255009 -2.386265 -1.331461
C 3.969622 1.422063 0.783349
H -3.247979 -2.537244 -0.407675
H -1.880210 -2.411408 0.732546
H -2.995592 1.357304 -0.583465
H -4.024745 0.117779 -1.346347
H -4.548305 -1.956661 1.493729
H -3.182283 -1.219310 2.336055
H -3.849217 0.881816 1.586618
H -5.200200 0.161016 0.708304
H -1.014584 0.471965 0.829103
H 0.432475 -1.606819 -0.966668
H -0.264334 -2.077125 0.589281
H 3.645365 -0.255165 -1.575998
H 1.939353 -0.704340 -1.812014
H 3.492201 -0.230073 2.117723
H 4.620240 -0.664012 0.789360
H -0.735288 2.716976 -1.768608
H 3.438329 -2.636946 -2.383108
H 2.481823 -3.068832 -0.960115
H 4.172206 -2.609460 -0.773626
H 4.818184 1.780476 1.376950
H 3.095419 2.024202 1.066905
H 4.183834 1.635791 -0.269217


%chk=000206738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206738

0 1
O -1.101229 2.318023 -1.275758
O 0.354656 0.761388 -2.185294
O 1.134220 0.391940 1.880672
N -2.315440 -0.340983 -0.660309
N 2.553199 -0.501796 0.269736
C -2.703893 -1.751253 -0.383346
C -3.474439 0.440423 -0.134076
C -3.433288 -1.752292 1.007126
C -3.888313 -0.267002 1.199772
C -0.989578 0.164574 -0.166834
C 0.065146 -0.920097 0.137401
C -0.478867 1.065906 -1.301513
C 1.296558 -0.286746 0.809292
C 2.824307 -1.175983 -1.024634
C 3.722154 0.049493 1.002984
C 3.014332 -2.702087 -0.884710
C 4.075443 1.484648 0.558583
H -3.414774 -2.060604 -1.173649
H -1.844271 -2.435802 -0.435408
H -3.205286 1.501315 -0.014728
H -4.299176 0.379186 -0.870150
H -4.286779 -2.453644 1.009546
H -2.748209 -2.060469 1.817496
H -3.362581 0.191431 2.056621
H -4.972552 -0.178511 1.388683
H -1.102287 0.781808 0.748158
H 0.303807 -1.488647 -0.773804
H -0.350935 -1.616221 0.888418
H 3.747294 -0.726085 -1.436227
H 2.022736 -0.931542 -1.741062
H 3.473316 0.047780 2.077448
H 4.577252 -0.633098 0.838255
H -0.806805 2.848561 -2.065548
H 3.273646 -3.148283 -1.862668
H 2.091015 -3.187102 -0.520027
H 3.825280 -2.939485 -0.172332
H 4.968179 1.845419 1.101937
H 3.235618 2.164242 0.780723
H 4.289744 1.532798 -0.524882


