%chk=000298505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298505

0 1
O 6.032366 0.081416 -0.443213
N -1.381334 0.363923 1.160503
N 4.840484 0.209990 -0.113061
N -0.183439 0.290385 0.544209
N 0.830860 0.719129 1.181721
C -2.509928 0.315967 0.235488
C -2.915927 -0.934588 -0.283381
C -3.196677 1.494353 -0.097960
C 2.482537 0.305762 -0.730726
C -4.033813 -0.967323 -1.133036
C 2.132689 0.491599 0.630263
C -2.187090 -2.191318 0.051257
C -4.307339 1.432993 -0.940257
C -4.724254 0.201796 -1.456964
C -1.594125 1.119098 2.427162
C 3.835110 0.169828 -1.066465
C 3.162508 0.539745 1.592557
C 1.467892 0.255547 -1.816568
C 4.491832 0.397754 1.220443
H -2.863637 2.453919 0.295531
H -4.366094 -1.920317 -1.543943
H -1.177619 -2.188283 -0.391180
H -2.044613 -2.295854 1.138638
H -2.700700 -3.093183 -0.302090
H -4.844733 2.344124 -1.197741
H -5.590352 0.154658 -2.116323
H -1.379740 2.195438 2.325332
H -0.913707 0.719803 3.202670
H -2.629848 0.983866 2.773238
H 4.153379 0.024496 -2.104352
H 2.911673 0.691060 2.647664
H 1.907637 0.230370 -2.822115
H 0.823603 -0.635296 -1.716550
H 0.789780 1.124812 -1.778490
H 5.309117 0.427829 1.946941


%chk=000298505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298505

0 1
O 6.142238 -0.104780 -0.268561
N -1.422404 0.702699 0.994540
N 4.856433 0.074710 0.044596
N -0.216015 0.391731 0.412665
N 0.803113 0.681653 1.202572
C -2.603511 0.462756 0.210660
C -2.821843 -0.785239 -0.450031
C -3.573183 1.496997 0.137919
C 2.497976 0.124240 -0.664544
C -4.021573 -0.928291 -1.193601
C 2.097762 0.437952 0.685611
C -1.858881 -1.953250 -0.354485
C -4.762419 1.319036 -0.595798
C -4.985539 0.100086 -1.274929
C -1.485194 1.349958 2.322984
C 3.865311 -0.041265 -0.929157
C 3.132082 0.573836 1.659087
C 1.538926 -0.019655 -1.827853
C 4.474741 0.390624 1.346920
H -3.377272 2.452480 0.636745
H -4.206971 -1.881933 -1.702238
H -1.014915 -1.840320 -1.058089
H -1.417381 -2.038419 0.653701
H -2.377904 -2.898223 -0.590746
H -5.498305 2.128491 -0.647498
H -5.902817 -0.052365 -1.853512
H -1.035491 2.359861 2.297987
H -0.903861 0.754075 3.047610
H -2.538094 1.404135 2.634686
H 4.254784 -0.274175 -1.921584
H 2.848478 0.827419 2.684066
H 2.091706 -0.116147 -2.778336
H 0.892549 -0.906071 -1.704157
H 0.855888 0.844614 -1.894188
H 5.298085 0.476277 2.056159


