%chk=000229875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229875

0 1
O 4.057013 -1.318255 0.749541
O 4.096809 0.356790 -0.733090
O -3.077812 -1.771062 -0.382724
N -1.133028 0.178138 -0.303534
N -2.426091 0.457878 0.075020
N -4.663040 -0.284135 0.369319
C 1.196519 0.577239 -0.576441
C 2.015960 -0.187688 0.467648
C -0.146156 0.975259 -0.006306
C -0.199871 2.226584 0.815563
C 3.451332 -0.294940 0.052601
C -3.345724 -0.646223 -0.029804
H 1.745356 1.479134 -0.925699
H 1.064322 -0.054258 -1.486099
H 1.963921 0.305775 1.463714
H 1.582318 -1.203210 0.631813
H -0.760804 3.019058 0.297816
H 0.800799 2.636614 1.015617
H -0.669589 2.061391 1.794508
H -2.618935 1.190990 0.769135
H 5.016474 -1.430158 0.513982
H -5.376817 -0.974576 0.153193
H -4.987755 0.663853 0.252627


%chk=000229875-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229875

0 1
O 4.319004 -1.078677 0.899893
O 4.082192 0.267395 -0.976695
O -3.415462 -1.610663 -0.858356
N -1.162144 0.008323 -0.360917
N -2.429462 0.313408 0.114320
N -4.735010 -0.055897 0.273329
C 1.198672 0.426283 -0.573670
C 2.147322 -0.106254 0.529176
C -0.163552 0.799334 -0.023821
C -0.293536 2.034236 0.858743
C 3.574515 -0.258224 0.037750
C -3.515414 -0.537749 -0.214382
H 1.672992 1.301112 -1.058686
H 1.062574 -0.347246 -1.347856
H 2.176644 0.583698 1.397266
H 1.795593 -1.076674 0.920584
H -0.981613 2.781483 0.412203
H 0.682037 2.529456 0.988692
H -0.679490 1.787070 1.869262
H -2.591031 1.129275 0.719006
H 5.254089 -1.144133 0.562785
H -5.552754 -0.631699 0.090274
H -4.860966 0.850344 0.719501


