%chk=000210096.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210096

0 1
O -0.020243 0.732290 1.466870
O 2.307619 -3.112049 -0.054049
O -1.859424 -2.157086 -1.627739
O 3.490837 2.192201 -1.394633
N -0.956037 -0.643706 -0.103325
N 0.235407 -2.618184 -0.822978
C 1.446558 -0.951620 0.592458
C 2.464761 -0.058759 -0.154043
C 0.127523 -0.206908 0.720133
C 2.890546 1.152167 0.675947
C 1.407596 -2.305496 -0.088324
C -0.942677 -1.819683 -0.917466
C -2.189896 0.151254 -0.112223
C 3.538207 2.219157 -0.186031
C -2.262923 1.278290 -0.941955
C -3.257978 -0.234916 0.708483
C 4.230916 3.316634 0.567151
C -3.439420 2.032780 -0.941912
C -4.425467 0.533470 0.691336
C -4.516730 1.662827 -0.129411
H 1.828694 -1.124543 1.642393
H 2.042407 0.278744 -1.127509
H 3.360428 -0.664483 -0.416637
H 2.009352 1.605713 1.194265
H 3.570804 0.847366 1.495277
H 0.222153 -3.508786 -1.349683
H -1.422796 1.562004 -1.573911
H -3.183555 -1.115148 1.344283
H 5.158280 2.960593 1.036114
H 3.606081 3.743383 1.361760
H 4.512759 4.141179 -0.107015
H -3.515262 2.912747 -1.580644
H -5.267718 0.248236 1.321487
H -5.430502 2.255828 -0.136766


%chk=000210096-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210096

0 1
O 0.412313 0.712299 1.562612
O 2.242949 -3.530763 0.308418
O -1.775979 -2.083030 -1.502810
O 1.673041 1.902242 -1.188753
N -0.670666 -0.596296 -0.043667
N 0.249783 -2.745438 -0.582662
C 1.663564 -1.184705 0.707948
C 2.804509 -0.522485 -0.154219
C 0.431478 -0.287478 0.797866
C 3.245648 0.861804 0.359385
C 1.425268 -2.585667 0.161781
C -0.796568 -1.812239 -0.769590
C -1.777640 0.357844 -0.134434
C 2.378425 2.023269 -0.149320
C -1.581620 1.568897 -0.831017
C -3.011196 0.052269 0.477052
C 2.414367 3.306217 0.656759
C -2.649020 2.490354 -0.911087
C -4.072883 0.978290 0.387162
C -3.893021 2.198284 -0.305400
H 2.055258 -1.289991 1.735683
H 2.467239 -0.423370 -1.202801
H 3.651932 -1.230241 -0.129875
H 3.289887 0.897424 1.463537
H 4.277427 1.066547 0.001663
H 0.104062 -3.648608 -1.046364
H -0.611637 1.786372 -1.290571
H -3.140978 -0.896298 1.008200
H 3.424340 3.517146 1.051653
H 1.739546 3.169923 1.524629
H 2.052078 4.156500 0.058275
H -2.507387 3.433394 -1.449805
H -5.035754 0.747559 0.855253
H -4.718467 2.915471 -0.373799


