%chk=000276025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276025

0 1
O -4.294197 1.187787 0.320389
O -4.528726 -1.653734 0.140514
O 5.130087 0.409987 0.007220
O 4.061377 -1.612150 -0.098665
N 1.656361 -0.096736 0.070748
N 2.906455 0.464754 0.073309
C -0.733191 0.089365 0.150385
C -3.133889 0.433590 0.238934
C -3.334994 -0.974341 0.152151
C -1.844024 0.956222 0.237780
C -0.932354 -1.294321 0.065096
C -2.224764 -1.824050 0.065901
C 0.614978 0.688212 0.152668
C 6.424750 -0.291134 -0.074892
C -4.151069 2.625480 0.409368
C -5.755969 -0.886294 0.224238
C 7.434139 0.834613 -0.051236
C 4.011353 -0.412239 -0.016559
H -1.683104 2.028496 0.303713
H -0.073204 -1.968556 -0.002801
H -2.388187 -2.900253 -0.000192
H 0.641319 1.785744 0.225535
H 6.492074 -0.967779 0.794652
H 6.430467 -0.874619 -1.012012
H -3.662835 3.016704 -0.487728
H -3.613628 2.899664 1.321619
H -5.198732 2.949090 0.458770
H -5.836354 -0.211728 -0.634634
H -5.787053 -0.329431 1.166638
H -6.515837 -1.675279 0.193491
H 8.459306 0.447551 -0.104786
H 7.288486 1.523912 -0.894723
H 7.346723 1.434611 0.865391
H 3.075832 1.476160 0.136419


%chk=000276025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276025

0 1
O -4.292435 1.283657 0.321300
O -4.666812 -1.636614 0.175246
O 5.156053 0.477707 -0.013176
O 4.171503 -1.667536 -0.144374
N 1.669476 -0.266376 0.039723
N 2.912126 0.340310 0.038861
C -0.742311 -0.011422 0.137855
C -3.175766 0.422144 0.239116
C -3.431494 -0.985627 0.170481
C -1.841819 0.885201 0.222358
C -1.003248 -1.407484 0.069304
C -2.324774 -1.871723 0.086283
C 0.618859 0.526963 0.124725
C 6.500807 -0.155322 -0.104705
C -4.034538 2.721211 0.391797
C -5.953349 -0.922395 0.253705
C 7.525121 0.968774 0.013530
C 4.072019 -0.427725 -0.050429
H -1.642310 1.961041 0.274763
H -0.161000 -2.101970 0.004107
H -2.551522 -2.940988 0.035238
H 0.719748 1.631095 0.190885
H 6.595170 -0.899036 0.707382
H 6.571819 -0.690298 -1.069380
H -3.505150 3.082194 -0.511789
H -3.449633 2.983762 1.295159
H -5.029169 3.188140 0.447756
H -6.089405 -0.248058 -0.607495
H -6.032847 -0.342573 1.187701
H -6.703671 -1.728169 0.234891
H 8.546105 0.550021 -0.048783
H 7.401712 1.704131 -0.799993
H 7.423831 1.494295 0.978493
H 3.028502 1.361969 0.106170


