%chk=000218591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218591

0 1
I 4.780179 2.529052 0.220246
O -0.712464 1.618193 -1.196583
O -4.242702 -0.780374 0.244037
N -1.155711 -0.588401 -0.816842
N 0.441547 -2.036986 0.231142
N -3.474227 1.363116 0.060774
N -4.284983 1.895155 1.094628
C 1.072366 0.281887 -0.287935
C -0.774302 -1.837884 -0.245193
C -0.269876 0.555427 -0.799137
C -2.502598 -0.379752 -1.393893
C 1.394605 -1.005554 0.207619
C 2.049191 1.305870 -0.281550
C -1.779478 -2.932448 -0.183641
C 2.699116 -1.264335 0.702983
C -3.485209 0.018326 -0.286129
C 3.309663 1.024934 0.205471
C 3.643837 -0.254463 0.698751
H -2.449321 0.407388 -2.190516
H -2.873238 -1.303289 -1.896073
H 1.777360 2.296581 -0.665719
H -1.991984 -3.359645 -1.175365
H -2.743324 -2.597373 0.252209
H -1.421482 -3.767725 0.448082
H 2.930915 -2.262415 1.081167
H 4.652211 -0.445782 1.078783
H -2.765594 2.031709 -0.283403
H -5.275618 1.829218 0.817367
H -4.197080 1.321569 1.946921


%chk=000218591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218591

0 1
I 4.735189 2.645632 0.269680
O -0.783482 1.639856 -1.108364
O -4.317651 -0.737660 0.368978
N -1.167943 -0.647143 -0.762980
N 0.477671 -2.112826 0.199043
N -3.456523 1.408776 0.017880
N -4.212242 2.025923 1.053647
C 1.035889 0.263953 -0.255248
C -0.747864 -1.903504 -0.263424
C -0.328135 0.508297 -0.734023
C -2.533497 -0.433634 -1.312647
C 1.391567 -1.047711 0.194300
C 1.980670 1.324740 -0.230854
C -1.739747 -3.040937 -0.256155
C 2.715192 -1.276012 0.664132
C -3.529380 0.054366 -0.235629
C 3.277349 1.065527 0.232058
C 3.653221 -0.232799 0.681956
H -2.443906 0.312158 -2.119762
H -2.915980 -1.377724 -1.720875
H 1.665059 2.313052 -0.576982
H -1.957480 -3.397797 -1.281402
H -2.698218 -2.750912 0.209954
H -1.289617 -3.871753 0.305011
H 2.977886 -2.280266 1.008450
H 4.669331 -0.416311 1.042347
H -2.678888 1.953348 -0.384453
H -5.152265 2.277472 0.716979
H -4.274407 1.395887 1.866585


