%chk=000291168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291168

0 1
O -0.914021 -2.630919 -0.587875
O -0.509755 2.026036 -0.981500
O -3.776497 -0.171349 1.402609
N -2.827001 -1.253785 -0.384095
N -2.101128 0.959134 0.265996
N 0.312214 -2.221374 -0.154955
C -0.614638 -0.353732 -1.256059
C -1.652199 -1.494284 -1.216039
C 0.560550 -0.974240 -0.478636
C -1.046796 0.984121 -0.673910
C -2.941766 -0.172324 0.522655
C 1.812484 -0.279310 -0.164981
C -2.445070 2.221726 0.979210
C 2.203024 0.868279 -0.875417
C 2.643938 -0.782744 0.853779
C 3.411239 1.499480 -0.571007
C 3.849640 -0.144975 1.151110
C 4.236214 0.995367 0.439440
H -0.285616 -0.165717 -2.314289
H -1.962238 -1.888607 -2.210999
H -3.350407 -2.102184 -0.115983
H -2.833418 1.991881 1.988978
H -3.215587 2.783483 0.424528
H -1.547227 2.858986 1.074995
H 1.561288 1.287613 -1.653772
H 2.347966 -1.674513 1.410764
H 3.707358 2.391338 -1.122766
H 4.489674 -0.538475 1.940144
H 5.177477 1.491286 0.673376


%chk=000291168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291168

0 1
O -0.854483 -2.755790 -0.827515
O -0.713531 2.044995 -1.321251
O -3.610561 -0.127776 1.627504
N -2.656500 -1.309576 -0.128557
N -2.068488 0.975735 0.231488
N 0.419385 -2.281634 -0.306712
C -0.671477 -0.398473 -1.323341
C -1.695922 -1.541425 -1.190446
C 0.542785 -0.983781 -0.546418
C -1.155436 0.969663 -0.828626
C -2.813399 -0.172747 0.653767
C 1.777200 -0.272013 -0.164327
C -2.384627 2.278555 0.865409
C 2.144408 0.960358 -0.772946
C 2.644677 -0.851904 0.807744
C 3.356961 1.590626 -0.418614
C 3.850774 -0.215837 1.154729
C 4.213616 1.009436 0.542938
H -0.378117 -0.258734 -2.378993
H -2.189516 -1.832342 -2.131192
H -3.221078 -2.107512 0.170965
H -3.000301 2.076233 1.752943
H -2.935212 2.925085 0.161458
H -1.447866 2.784550 1.145891
H 1.489934 1.430158 -1.513031
H 2.357509 -1.798201 1.276639
H 3.629716 2.538199 -0.895355
H 4.507634 -0.670406 1.904270
H 5.151616 1.504755 0.816879


