%chk=000202327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202327

0 1
O -0.029640 1.131587 1.656506
O -4.442887 0.850021 -0.164486
O -3.160731 -0.247515 -1.701318
N 0.705548 -1.572651 -0.451443
N 1.100954 -0.584459 0.519779
N -2.591406 -0.278788 0.582714
C -0.731778 -1.648577 -0.381245
C -1.220098 -0.596505 0.365412
C -0.087029 0.163254 0.939319
C 2.376292 0.068664 0.321096
C 1.460614 -2.849424 -0.308653
C -1.485159 -2.659115 -1.139389
C 2.880319 0.811047 1.406742
C 3.109131 -0.046810 -0.871553
C -2.894999 0.366590 1.889035
C -3.337538 0.107373 -0.551710
C 4.131872 1.415878 1.292765
C 4.364015 0.561034 -0.960285
C 4.880085 1.287042 0.116813
C -5.413884 1.106195 -1.216441
H 2.547317 -2.644144 -0.315632
H 1.232001 -3.487918 -1.178706
H 1.231026 -3.400340 0.618237
H -0.864581 -3.356204 -1.714306
H -2.161031 -2.145333 -1.867250
H -2.148543 -3.243656 -0.480502
H 2.285687 0.926906 2.315905
H 2.701223 -0.583385 -1.727003
H -2.559193 -0.299033 2.702162
H -3.985084 0.518170 1.985774
H -2.388661 1.342747 2.011979
H 4.526521 1.994512 2.127917
H 4.938483 0.473166 -1.881899
H 5.857314 1.758354 0.039254
H -5.943513 0.177425 -1.446754
H -4.912120 1.500599 -2.107218
H -6.068628 1.850692 -0.751220


%chk=000202327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202327

0 1
O 0.025876 1.370517 1.612752
O -4.641421 0.609031 -0.148358
O -3.033281 -0.018061 -1.738224
N 0.657228 -1.501199 -0.404837
N 1.099707 -0.434410 0.447017
N -2.535365 0.002989 0.571701
C -0.747868 -1.512984 -0.352692
C -1.191955 -0.422363 0.383974
C -0.041376 0.310728 0.918538
C 2.424290 0.088684 0.320153
C 1.453401 -2.748600 -0.364581
C -1.561541 -2.563639 -1.043631
C 3.002701 0.755597 1.429503
C 3.141831 -0.028281 -0.898699
C -2.957514 0.336912 1.956521
C -3.355973 0.180967 -0.535287
C 4.301797 1.293326 1.313028
C 4.448461 0.496264 -0.992234
C 5.035579 1.158049 0.111081
C -5.561562 0.857768 -1.276573
H 2.522345 -2.496773 -0.426646
H 1.194537 -3.363736 -1.240254
H 1.273101 -3.324447 0.564363
H -1.052172 -3.540698 -1.088580
H -1.809799 -2.232104 -2.068463
H -2.520390 -2.693645 -0.514563
H 2.427269 0.863257 2.351660
H 2.662793 -0.491872 -1.767592
H -3.101750 -0.587740 2.545846
H -3.901784 0.894812 1.922863
H -2.174219 0.956102 2.424779
H 4.743313 1.815514 2.168861
H 4.999288 0.404547 -1.934966
H 6.047017 1.570796 0.032300
H -5.693939 -0.057657 -1.877815
H -5.170459 1.660036 -1.924787
H -6.506267 1.159715 -0.801765


