%chk=000296962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296962

0 1
O 0.865044 2.151916 -1.731311
O -0.539967 2.568364 1.523074
N 0.877147 -0.136212 -2.054233
N 1.380667 1.373055 1.673311
N -0.232668 0.918349 -0.115390
C 1.327009 -1.563333 -0.100344
C 1.561588 -0.987580 1.072612
C 0.780998 -2.272994 1.103579
C 1.807399 -1.119553 -1.412934
C 2.301151 0.245915 1.359647
C 3.186753 -0.449197 -1.065787
C 3.163402 0.582884 0.086273
C 0.540118 1.056890 -1.321737
C 0.163227 1.697698 1.061227
C -1.421882 0.107964 -0.038584
C -2.076177 -0.306851 -1.213706
C -1.937859 -0.243185 1.224593
C -3.232530 -1.081514 -1.113840
C -3.101888 -1.009829 1.298408
C -3.749775 -1.437528 0.135929
H -0.292953 -2.262103 1.307606
H 1.246287 -3.191742 1.459784
H 1.942368 -1.958786 -2.141976
H 2.976621 0.121278 2.248142
H 3.595748 0.043179 -1.967926
H 3.899244 -1.258939 -0.812765
H 4.207045 0.747342 0.416071
H 2.838499 1.564400 -0.321316
H 1.197906 0.101996 -3.008170
H 1.658472 1.979722 2.449823
H -1.694805 -0.034260 -2.195987
H -1.455812 0.089506 2.141982
H -3.738863 -1.405702 -2.023158
H -3.507429 -1.273585 2.275210
H -4.654284 -2.036465 0.202493


%chk=000296962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296962

0 1
O 0.340356 2.015060 -1.701567
O -0.675427 1.987172 1.961220
N 0.998563 -0.202556 -1.864797
N 1.523188 1.402874 1.531441
N -0.216074 0.568530 0.099780
C 1.704376 -1.663353 0.065678
C 2.023696 -0.995918 1.164888
C 0.983711 -2.134187 1.353003
C 1.986738 -1.203374 -1.328627
C 2.590521 0.389961 1.247614
C 3.377420 -0.487696 -1.172353
C 3.352801 0.671085 -0.118881
C 0.417484 0.866303 -1.184944
C 0.155233 1.368947 1.240079
C -1.534606 -0.027892 0.044586
C -2.183513 -0.230007 -1.200019
C -2.186965 -0.436892 1.238629
C -3.447934 -0.854923 -1.249697
C -3.455790 -1.046911 1.177280
C -4.094369 -1.269654 -0.064743
H -0.079092 -1.898771 1.500121
H 1.308016 -3.070020 1.826951
H 2.038034 -2.019071 -2.071242
H 3.299246 0.495001 2.089840
H 3.695094 -0.064296 -2.145609
H 4.121716 -1.253955 -0.887179
H 4.400077 0.944978 0.104068
H 2.889838 1.566421 -0.569037
H 1.223139 0.069915 -2.830778
H 1.725894 2.068865 2.281473
H -1.715959 0.104976 -2.130238
H -1.726299 -0.245407 2.211225
H -3.932425 -1.002118 -2.221453
H -3.947305 -1.346135 2.109685
H -5.079583 -1.745855 -0.105797


