%chk=000230602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230602

0 1
O 1.713432 3.405078 -0.712175
O 3.706494 2.602452 -0.118291
N 0.245280 -1.262112 0.104566
C -1.836157 -0.022644 -0.048372
C -0.356128 -0.081541 -0.028152
C -2.608337 -0.389464 1.073929
C 2.445005 -0.143293 -0.017360
C 1.634927 -1.311515 0.109454
C 1.759998 1.110729 -0.162675
C 0.386031 1.147840 -0.168991
C -2.471263 0.409925 -1.222955
C -4.006301 -0.301791 0.998297
C -4.637505 0.133609 -0.174652
C -3.860478 0.489313 -1.290198
C -1.957735 -0.861690 2.331160
C 3.865201 -0.292077 0.007801
C 2.252149 -2.598295 0.248552
C -6.128276 0.202598 -0.243144
C 4.432697 -1.534413 0.144086
C 3.619291 -2.699709 0.263659
C 2.533088 2.373064 -0.302973
H -0.160565 2.089450 -0.278446
H -1.871166 0.680309 -2.092677
H -4.607612 -0.582051 1.860706
H -4.340910 0.822126 -2.206918
H -1.212007 -0.143265 2.699179
H -2.671353 -1.037995 3.144834
H -1.422336 -1.811335 2.154985
H 4.492715 0.603007 -0.076769
H 1.604564 -3.472608 0.337394
H -6.577125 0.480053 0.720204
H -6.482260 0.931694 -0.983977
H -6.547472 -0.775324 -0.525710
H 5.516559 -1.649399 0.163745
H 4.105655 -3.669786 0.367468
H 2.211399 4.263059 -0.809081


%chk=000230602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230602

0 1
O 1.684671 3.440151 -1.073366
O 3.800386 2.541812 -0.843639
N 0.289449 -1.158907 0.368961
C -1.822460 0.048085 0.029815
C -0.330937 -0.002012 0.031755
C -2.630563 -0.642353 0.991636
C 2.515838 -0.088686 -0.041046
C 1.674270 -1.212840 0.337631
C 1.823273 1.137063 -0.383939
C 0.423658 1.164024 -0.342381
C -2.468050 0.817595 -0.977765
C -4.039150 -0.523350 0.893398
C -4.684846 0.230430 -0.118002
C -3.870162 0.907471 -1.058615
C -2.049490 -1.468547 2.125559
C 3.937644 -0.267764 -0.042784
C 2.280271 -2.460981 0.695390
C -6.199486 0.291858 -0.200826
C 4.496391 -1.499880 0.312596
C 3.668171 -2.604593 0.683854
C 2.557434 2.379200 -0.770010
H -0.095562 2.096584 -0.569170
H -1.860209 1.330731 -1.731834
H -4.655318 -1.039853 1.641056
H -4.333836 1.500387 -1.855871
H -1.235740 -0.935264 2.648888
H -2.833445 -1.720778 2.861118
H -1.601055 -2.401304 1.743895
H 4.575926 0.572125 -0.324301
H 1.611398 -3.282312 0.969344
H -6.661961 0.276088 0.802098
H -6.539875 1.203823 -0.721795
H -6.601378 -0.576101 -0.759455
H 5.585362 -1.620429 0.305299
H 4.126641 -3.561192 0.957081
H 2.232240 4.233717 -1.318072


