%chk=000294811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294811

0 1
O 3.318139 1.937565 0.274979
O -5.373678 1.797914 0.024300
O -5.157827 -0.099018 1.187851
N -1.121273 -0.394209 -0.371483
C -0.239058 -1.341979 0.387575
C -2.558722 -0.603810 -0.003845
C 1.220284 -0.996632 0.192012
C -3.278777 0.747364 -0.158498
C -0.916991 -0.535062 -1.842779
C 1.656372 0.322398 0.298295
C 2.146002 -2.029394 -0.058689
C 3.030960 0.595793 0.150069
C 3.500659 -1.732027 -0.197720
C 3.966708 -0.415759 -0.096144
C -4.645968 0.702107 0.441632
C 4.700773 2.348500 0.153935
H -0.428944 -2.407489 0.129192
H -0.473593 -1.232982 1.474956
H -3.067011 -1.380325 -0.614452
H -2.641906 -0.939199 1.055770
H -3.328461 1.059811 -1.224137
H -2.679041 1.553552 0.330806
H -1.542483 0.202645 -2.368714
H -1.137238 -1.533187 -2.248095
H 0.134343 -0.292191 -2.079677
H 0.954223 1.136397 0.479599
H 1.806778 -3.057417 -0.143167
H 4.213153 -2.534725 -0.389631
H 5.022663 -0.202917 -0.206631
H -6.288323 1.821645 0.411601
H 5.082491 2.110132 -0.842734
H 5.304101 1.890793 0.942957
H 4.625143 3.434407 0.296869


%chk=000294811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294811

0 1
O 3.342242 1.974824 0.222263
O -5.531381 1.727476 -0.026146
O -5.021096 0.021263 1.461651
N -1.131996 -0.410653 -0.390414
C -0.233870 -1.416057 0.229609
C -2.528434 -0.540871 0.084907
C 1.247229 -1.062760 0.110802
C -3.364039 0.708039 -0.252940
C -1.015946 -0.399470 -1.865486
C 1.668010 0.280884 0.190597
C 2.217825 -2.089702 -0.026820
C 3.045292 0.602923 0.136808
C 3.589272 -1.763123 -0.072314
C 4.019983 -0.418452 0.007872
C -4.681094 0.737672 0.494270
C 4.752724 2.364093 0.184356
H -0.396151 -2.441739 -0.190676
H -0.499992 -1.473132 1.304024
H -3.035832 -1.448422 -0.331392
H -2.515063 -0.661437 1.182931
H -3.579035 0.800152 -1.331962
H -2.788720 1.612520 0.028625
H -1.563005 0.459185 -2.290487
H -1.410419 -1.335461 -2.336082
H 0.044561 -0.292256 -2.147640
H 0.926069 1.079871 0.283141
H 1.898548 -3.136220 -0.098229
H 4.336254 -2.558244 -0.177890
H 5.088304 -0.186213 -0.034462
H -6.373145 1.746019 0.506005
H 5.229413 2.065871 -0.770178
H 5.316354 1.925347 1.031187
H 4.750635 3.460774 0.270075


