%chk=000228934.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228934

0 1
O 2.646023 0.423610 0.637340
O -4.949955 1.662556 -0.491426
O 2.617679 -1.401514 -0.739545
N -1.766362 -0.170751 0.075469
N 0.902185 -1.056788 0.818426
C -1.040625 -1.172187 -0.774595
C -0.795393 0.788320 0.700101
C -0.044179 -1.959610 0.100573
C 0.194126 0.004983 1.586267
C -2.800775 0.559542 -0.722521
C -3.915518 0.997933 0.245845
C 2.082379 -0.728966 0.119172
C 3.987373 0.769022 0.160664
C 3.907015 1.370882 -1.226195
H -0.509246 -0.712109 -1.635581
H -1.790249 -1.878495 -1.193739
H -1.368327 1.501041 1.332088
H -0.238751 1.395696 -0.046320
H -0.588692 -2.542864 0.878871
H 0.530313 -2.684081 -0.521584
H 0.936174 0.696150 2.046060
H -0.350273 -0.502079 2.416894
H -3.230767 -0.112496 -1.495498
H -2.410312 1.442521 -1.272554
H -3.578567 1.776346 0.954827
H -4.335353 0.145078 0.806590
H 4.293571 1.493884 0.937137
H 4.617252 -0.137875 0.194871
H -5.436448 1.029416 -1.052962
H 4.878642 1.760211 -1.551731
H 3.590811 0.615906 -1.963850
H 3.182548 2.192918 -1.271094


%chk=000228934-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228934

0 1
O 2.879303 0.441797 0.661514
O -5.448908 1.356264 -0.085631
O 2.790671 -1.534494 -0.619577
N -1.944239 -0.125663 -0.019901
N 0.856886 -0.612949 0.341642
C -1.230018 -1.092490 -0.893146
C -1.034049 0.976070 0.385367
C -0.022168 -1.691921 -0.148280
C 0.183318 0.420471 1.151411
C -3.219366 0.360609 -0.597831
C -4.215162 0.803822 0.495962
C 2.207878 -0.649034 0.067176
C 4.338082 0.519352 0.371623
C 4.598115 1.263756 -0.941363
H -0.871504 -0.612939 -1.839011
H -1.925095 -1.908135 -1.164670
H -1.577614 1.677366 1.043001
H -0.674758 1.551420 -0.505906
H -0.386966 -2.285508 0.714167
H 0.569398 -2.345240 -0.809183
H 0.900318 1.221653 1.379578
H -0.167072 -0.030828 2.101854
H -3.674266 -0.471388 -1.172299
H -3.073839 1.206460 -1.313360
H -3.806608 1.633907 1.094868
H -4.423268 -0.048248 1.174837
H 4.747164 1.059758 1.241134
H 4.744651 -0.506384 0.334558
H -5.920271 0.640617 -0.582544
H 5.686972 1.383645 -1.095751
H 4.189503 0.696677 -1.794728
H 4.139213 2.267775 -0.923508


