%chk=000297598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297598

0 1
O 1.546161 1.238400 -0.610315
O -1.547737 1.236403 0.609697
O 5.753365 -0.672237 -1.875321
O -5.752439 -0.679291 1.875372
N 4.966111 -1.231583 -4.163548
N -4.964530 -1.236765 4.163826
C 0.672353 1.898505 0.357820
C -0.674847 1.897473 -0.358607
C 2.829035 0.938000 -0.232307
C -2.830180 0.934092 0.231756
C 3.558052 0.305267 -1.262807
C -3.558407 0.300872 1.262515
C 3.396400 1.213533 1.019785
C -3.397836 1.208238 -1.020509
C 4.870515 -0.032538 -0.967733
C -4.870387 -0.038873 0.967517
C 4.727265 0.844451 1.252706
C -4.728178 0.837222 -1.253343
C 5.488643 0.217216 0.266593
C -5.488768 0.209430 -0.266975
C 5.276889 -0.948490 -3.086624
C -5.275660 -0.954318 3.086834
H 0.631927 1.304690 1.294087
H 1.067968 2.909786 0.548410
H -0.633587 1.303483 -1.294727
H -1.071880 2.908150 -0.549454
H 3.082602 0.106542 -2.221105
H -3.082762 0.103292 2.220954
H 2.830036 1.698343 1.807539
H -2.832077 1.693440 -1.808457
H 5.177790 1.052430 2.226160
H -5.178920 1.044114 -2.226928
H 6.522825 -0.074102 0.434761
H -6.522542 -0.083375 -0.435071


%chk=000297598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297598

0 1
O 1.681163 0.633399 -0.703231
O -1.681912 0.630600 0.702816
O 6.324288 0.635875 -2.144176
O -6.325057 0.626587 2.143702
N 5.723263 0.636490 -4.593156
N -5.724184 0.626323 4.592716
C 0.670870 0.630086 0.364663
C -0.671609 0.629586 -0.365066
C 3.030245 0.633584 -0.326669
C -3.030992 0.629723 0.326234
C 3.945830 0.634825 -1.408980
C -3.946587 0.628992 1.408538
C 3.491216 0.632831 1.012967
C -3.491946 0.629640 -1.013406
C 5.312371 0.634854 -1.104193
C -5.313124 0.627766 1.103738
C 4.883431 0.633039 1.262578
C -4.884159 0.628499 -1.263032
C 5.819172 0.633889 0.208622
C -5.819909 0.627380 -0.209086
C 5.960288 0.636195 -3.417850
C -5.961064 0.626205 3.417380
H 0.770664 -0.274178 0.995472
H 0.767719 1.532763 0.998279
H -0.770233 -0.274196 -0.996752
H -0.769605 1.532748 -0.997815
H 3.571409 0.635470 -2.437607
H -3.572175 0.629093 2.437168
H 2.793173 0.632297 1.853913
H -2.793892 0.630600 -1.854343
H 5.241103 0.632356 2.297061
H -5.241821 0.628287 -2.297519
H 6.897419 0.633892 0.383283
H -6.898156 0.626295 -0.383749


