%chk=000222789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222789

0 1
I 0.283354 -3.284375 -0.072877
O -2.519425 1.794384 -1.859767
O -2.887996 2.993604 -0.004217
O -1.130086 -0.534001 2.108319
N -1.503736 -0.140186 -0.114895
C -1.107537 1.277215 0.006093
C 0.188917 1.610703 -0.758746
C 1.308050 0.647697 -0.464131
C -2.257658 2.124872 -0.549102
C 1.677834 0.356041 0.857556
C 1.998252 0.044807 -1.526575
C -1.328886 -0.989632 0.998495
C 2.725288 -0.532826 1.110484
C 3.047889 -0.841209 -1.266914
C 3.413737 -1.132324 0.050384
C -1.517045 -2.456800 0.724553
H -0.991992 1.535176 1.105052
H -0.018806 1.641659 -1.851593
H 0.516388 2.640776 -0.494800
H -1.472339 -0.517359 -1.064318
H 1.138449 0.803750 1.693349
H 1.720480 0.262033 -2.555652
H 3.000710 -0.763477 2.139206
H 3.581318 -1.304251 -2.095188
H 4.230294 -1.821950 0.251851
H -2.342465 -2.679040 0.028872
H -1.736336 -2.991849 1.671211
H -3.277652 2.314064 -2.241849


%chk=000222789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222789

0 1
I -2.571204 -3.286419 -1.187655
O -3.017720 1.417205 -1.561850
O -2.248532 3.294177 -0.424152
O -1.228115 -0.631375 2.078478
N -1.433875 -0.265812 -0.217558
C -1.064989 1.148042 -0.138830
C 0.261619 1.480858 -0.901112
C 1.462356 0.644049 -0.474873
C -2.156046 2.075958 -0.675459
C 1.759247 0.394716 0.890145
C 2.343960 0.137949 -1.463558
C -1.490135 -1.050537 0.905128
C 2.913324 -0.334112 1.253087
C 3.500839 -0.589511 -1.103316
C 3.790841 -0.826941 0.259495
C -1.851327 -2.529837 0.779992
H -0.939508 1.382657 0.933554
H 0.090892 1.355726 -1.987781
H 0.462623 2.557088 -0.731383
H -1.722216 -0.653547 -1.120709
H 1.086120 0.749967 1.678464
H 2.124505 0.316107 -2.523930
H 3.123725 -0.519620 2.312224
H 4.169982 -0.970856 -1.882839
H 4.685686 -1.391724 0.543732
H -2.656554 -2.764947 1.490757
H -0.964057 -3.140294 1.008757
H -3.692441 2.058535 -1.914009


