%chk=000231926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231926

0 1
O 1.163817 4.091541 0.474579
O 0.780134 -2.324610 -0.839798
O -1.883348 -2.320364 0.932890
N 0.214805 2.103470 -0.104492
N 2.069479 -1.630559 0.921422
N -2.559475 -1.203661 -0.946383
C 1.300606 1.307359 0.525894
C -0.922197 1.360803 -0.699567
C 2.023381 0.436135 -0.510777
C -1.870725 0.819808 0.380590
C 2.876559 -0.666969 0.131361
C -3.025254 -0.007050 -0.206677
C 0.236866 3.497869 -0.055751
C 1.040012 -2.375680 0.357104
C -1.963508 -2.279865 -0.287602
H 0.863331 0.680368 1.334189
H 2.018887 2.013720 1.010883
H -0.510375 0.512335 -1.302503
H -1.470702 2.018334 -1.407387
H 1.284060 -0.042258 -1.196917
H 2.662069 1.068175 -1.158059
H -1.305645 0.183615 1.098574
H -2.282122 1.649707 0.986282
H 3.403624 -1.227977 -0.678243
H 3.656057 -0.230798 0.792238
H -3.680589 -0.347926 0.633065
H -3.653413 0.608300 -0.884870
H -0.619189 4.002061 -0.528438
H 2.203644 -1.614100 1.926493
H -2.477384 -1.110528 -1.952754
H 0.482040 -3.015351 1.066677
H -1.596049 -3.082306 -0.950924


%chk=000231926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231926

0 1
O 1.392669 4.060807 0.363353
O 1.145453 -2.625535 -1.030890
O -1.846858 -2.196898 1.126789
N 0.172292 2.096308 -0.071753
N 2.152520 -1.676985 0.855541
N -2.551051 -1.181014 -0.858023
C 1.187969 1.211895 0.540611
C -1.039127 1.490101 -0.660418
C 2.030367 0.451513 -0.508334
C -2.036524 0.955019 0.393357
C 2.921799 -0.646252 0.123410
C -3.115852 0.026118 -0.216544
C 0.381353 3.464348 -0.106056
C 1.326476 -2.579966 0.223657
C -1.961768 -2.197375 -0.135642
H 0.676677 0.487967 1.202178
H 1.836700 1.856240 1.160844
H -0.734934 0.656601 -1.322854
H -1.529381 2.251627 -1.297950
H 1.377865 -0.035679 -1.254528
H 2.679221 1.165689 -1.048912
H -1.502254 0.379327 1.169108
H -2.537714 1.800108 0.902919
H 3.493057 -1.142884 -0.682069
H 3.645186 -0.202807 0.831867
H -3.798205 -0.295122 0.591433
H -3.715348 0.561012 -0.976363
H -0.455047 4.004614 -0.608144
H 2.209167 -1.711849 1.875055
H -2.580037 -1.269978 -1.875238
H 0.813863 -3.264912 0.933488
H -1.579138 -3.018437 -0.778792


