%chk=000227768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227768

0 1
O -1.927041 0.536959 -1.011967
O -1.435007 2.281774 0.355508
O -5.401229 0.315142 -0.247735
O 3.492833 2.521270 1.526624
O 0.892531 -3.234731 -1.537446
O 4.768720 0.798641 1.202596
O 2.964149 -3.192048 -0.900256
O -3.628871 -0.408251 0.973891
N 3.706736 1.387766 1.141862
N 1.858485 -2.701776 -1.025614
C 0.235873 0.585018 -0.115296
C 2.563216 0.654595 0.537594
C 1.670810 -1.320803 -0.508916
C 0.404956 -0.720262 -0.599139
C 1.309462 1.280554 0.460773
C 2.760961 -0.647834 0.058969
C -1.085090 1.259056 -0.174711
C -3.310636 0.945473 -1.060788
C -4.060744 0.195472 0.027075
C -6.320580 -0.310682 0.690983
H -0.443382 -1.269917 -1.043577
H 1.172392 2.304081 0.851018
H 3.751830 -1.132105 0.128414
H -3.410451 2.045074 -0.934845
H -3.629641 0.642508 -2.079374
H -6.078166 -1.373138 0.796715
H -7.291348 -0.156016 0.206768
H -6.256066 0.203379 1.655177


%chk=000227768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227768

0 1
O -1.972138 0.249664 -1.137584
O -1.503639 2.119197 0.184310
O -5.495048 0.445391 -0.185562
O 3.176668 2.523815 1.903671
O 1.278157 -3.234492 -1.903984
O 4.692418 0.862695 1.510976
O 3.398431 -3.060521 -1.077016
O -3.657083 -0.343885 1.024500
N 3.521737 1.388936 1.402991
N 2.199779 -2.620897 -1.245790
C 0.224596 0.446296 -0.217054
C 2.489305 0.627100 0.639858
C 1.853170 -1.303444 -0.635767
C 0.546754 -0.803051 -0.795786
C 1.198380 1.171431 0.508894
C 2.849539 -0.612222 0.078082
C -1.142855 1.041787 -0.336229
C -3.375013 0.676988 -1.220841
C -4.145727 0.188159 0.009619
C -6.397920 0.060095 0.932119
H -0.199224 -1.373950 -1.352750
H 0.947893 2.135545 0.961175
H 3.857396 -1.019278 0.192432
H -3.446147 1.777540 -1.280683
H -3.776558 0.220582 -2.137272
H -6.341839 -1.027492 1.103438
H -7.399603 0.359944 0.596620
H -6.106725 0.593268 1.851937


