%chk=000218332.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218332

0 1
O -0.029443 -0.552526 1.182987
N -3.417247 0.700909 0.579864
C -2.195879 -0.161720 0.392420
C -1.920142 -0.371227 -1.111640
C -3.122307 -0.993065 -1.823237
C -4.614901 0.105829 -0.109697
C -4.348603 -0.099053 -1.608352
C -0.971748 0.538861 1.026641
C 1.313318 -0.141537 1.540642
C 2.042243 -1.447225 1.905867
C 1.753796 -2.608425 0.948110
C 1.987891 0.618774 0.415635
C 2.329460 -2.399451 -0.457424
C 1.608697 -1.281988 -1.225451
C 2.138976 0.080090 -0.876107
C -3.742988 0.869888 2.031418
C 2.487977 1.899980 0.692547
C 2.790247 0.836664 -1.865282
C 3.134150 2.645043 -0.295974
C 3.284867 2.109909 -1.578696
H -2.311745 -1.164853 0.883175
H -1.011555 -1.010006 -1.214066
H -1.670256 0.599572 -1.584523
H -3.315579 -2.012485 -1.439867
H -2.912591 -1.105880 -2.902728
H -5.455470 0.822811 0.019568
H -4.933784 -0.856003 0.347788
H -4.182701 0.884804 -2.091837
H -5.241659 -0.537163 -2.088718
H -1.183956 0.960326 2.024834
H -0.548670 1.324125 0.379274
H 1.230103 0.505273 2.447368
H 1.737016 -1.747272 2.928080
H 3.130917 -1.246799 1.947979
H 0.653241 -2.751290 0.882454
H 2.162036 -3.542849 1.378551
H 2.244120 -3.344658 -1.027996
H 3.412739 -2.178125 -0.398052
H 0.509795 -1.307073 -0.987705
H 1.684975 -1.469850 -2.313165
H -2.891579 1.350654 2.542814
H -3.979294 -0.062668 2.564478
H -4.600151 1.555067 2.126384
H 2.374165 2.323506 1.689805
H 2.912974 0.425539 -2.865500
H 3.517179 3.636957 -0.068716
H 3.787567 2.685410 -2.353854


%chk=000218332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218332

0 1
O -0.071184 -0.781201 0.891466
N -3.391228 0.895319 0.332220
C -2.386743 -0.208336 0.439794
C -2.279753 -0.966115 -0.906001
C -3.646453 -1.501000 -1.379219
C -4.724826 0.376007 -0.077954
C -4.667090 -0.344642 -1.436854
C -1.006507 0.351998 0.838198
C 1.263901 -0.408562 1.414901
C 2.000276 -1.733067 1.718736
C 2.006885 -2.777102 0.578568
C 2.013058 0.555803 0.491837
C 2.734584 -2.348353 -0.716862
C 2.068426 -1.150507 -1.451528
C 2.381046 0.211934 -0.845029
C -3.513035 1.709573 1.562909
C 2.344548 1.837606 0.994962
C 3.069830 1.175365 -1.623524
C 3.038693 2.785849 0.210468
C 3.402163 2.450518 -1.111345
H -2.699211 -0.940932 1.232951
H -1.551059 -1.786622 -0.783765
H -1.874287 -0.264471 -1.662937
H -4.008959 -2.276114 -0.672155
H -3.547679 -1.988007 -2.368095
H -5.419743 1.235026 -0.134723
H -5.135190 -0.332850 0.691607
H -4.363214 0.382204 -2.214729
H -5.676417 -0.717747 -1.698024
H -1.031993 0.833120 1.838890
H -0.677988 1.104239 0.090814
H 1.110927 0.120316 2.384469
H 1.512180 -2.189613 2.601855
H 3.039067 -1.483768 2.013608
H 0.958327 -3.031792 0.333051
H 2.478980 -3.702577 0.965715
H 2.744522 -3.215082 -1.407851
H 3.793900 -2.105159 -0.497483
H 0.973325 -1.316122 -1.451617
H 2.399667 -1.148289 -2.507306
H -2.592435 2.287939 1.748816
H -3.735731 1.100573 2.476578
H -4.335177 2.435468 1.431076
H 2.051593 2.095846 2.021078
H 3.353251 0.917654 -2.651568
H 3.286042 3.770171 0.623259
H 3.936916 3.172300 -1.739165


