%chk=000001865.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001865

0 1
O 4.763150 -0.117577 -1.022504
O -2.782382 1.944293 -0.555273
O -2.390737 -2.686292 -0.098410
N -0.562630 -1.329919 0.409153
N -2.556356 -0.360312 -0.318748
C 1.509589 -0.117122 0.956042
C 0.057699 -0.075688 0.521497
C 2.487873 -0.081292 -0.251183
C -0.641211 1.076742 0.205346
C 3.950065 -0.153657 0.200655
C -2.040527 0.967829 -0.244076
C -0.068168 2.473151 0.262841
C -1.884566 -1.546640 -0.013238
H 1.719974 0.738341 1.622757
H 1.694576 -1.033206 1.553166
H 2.284670 -0.925276 -0.936276
H 2.338596 0.848091 -0.829634
H -0.045995 -2.178598 0.648473
H 4.187436 0.707614 0.863958
H 4.128915 -1.092250 0.771386
H -0.834073 3.173673 0.637043
H 0.211403 2.829935 -0.746850
H 0.824675 2.540499 0.906292
H -3.527506 -0.455760 -0.631458
H 5.723931 -0.163479 -0.787757


%chk=000001865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001865

0 1
O 4.763403 -0.116163 -1.022769
O -2.781471 1.948015 -0.554540
O -2.398804 -2.696956 -0.099591
N -0.562928 -1.330604 0.409390
N -2.557727 -0.358694 -0.318777
C 1.509690 -0.117508 0.955899
C 0.057748 -0.076263 0.521461
C 2.487893 -0.082447 -0.251402
C -0.640454 1.076455 0.205516
C 3.950248 -0.151648 0.200425
C -2.040376 0.969214 -0.243793
C -0.065950 2.472297 0.263226
C -1.887705 -1.549619 -0.013543
H 1.720312 0.738352 1.622100
H 1.694633 -1.033310 1.553483
H 2.285958 -0.928067 -0.934857
H 2.337098 0.845587 -0.831613
H -0.045526 -2.178607 0.648947
H 4.186166 0.711064 0.862370
H 4.130685 -1.089033 0.772654
H -0.832280 3.174256 0.633903
H 0.217737 2.827582 -0.745866
H 0.824689 2.539321 0.909817
H -3.528944 -0.451709 -0.631424
H 5.724307 -0.158416 -0.787815


