%chk=000274871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274871

0 1
O 4.723234 -0.978161 0.308285
N -0.871087 1.453724 0.095728
C -1.694997 -0.676517 -0.011818
C -2.041739 0.674154 0.031516
C -2.699541 -1.768343 -0.086262
C -3.431224 1.205793 0.038416
C -4.101005 -1.245519 0.284351
C -4.411388 0.097240 -0.396427
C -0.264022 -0.764133 0.010312
C 0.241628 0.586846 0.069962
C 0.650740 -1.833406 -0.010182
C 1.619289 0.861504 0.098134
C -0.806195 2.917577 0.125975
C 2.492063 -0.219161 0.072260
C 2.004314 -1.556084 0.023824
C 3.976741 -0.042935 0.101753
C 4.528383 1.335632 -0.147018
H -2.708212 -2.192547 -1.112461
H -2.416393 -2.602382 0.587003
H -3.689886 1.560646 1.058931
H -3.533572 2.081468 -0.632552
H -4.864813 -1.993646 0.003965
H -4.169899 -1.128826 1.383425
H -5.446980 0.407465 -0.166231
H -4.359018 -0.027281 -1.496118
H 0.283787 -2.856311 -0.049758
H 1.973374 1.886827 0.141022
H -0.759082 3.333571 -0.897543
H -1.690966 3.340919 0.632647
H 0.087524 3.258608 0.678405
H 2.738797 -2.366653 0.018869
H 4.281222 2.022891 0.670973
H 4.150195 1.766577 -1.081578
H 5.626527 1.304163 -0.219709


%chk=000274871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274871

0 1
O 4.809819 -1.003726 -0.046838
N -0.864526 1.437479 0.019720
C -1.710631 -0.698860 -0.022504
C -2.041511 0.661971 0.003929
C -2.750920 -1.795062 -0.030672
C -3.439734 1.219037 0.019696
C -4.135116 -1.228676 0.384966
C -4.449230 0.096852 -0.351868
C -0.270852 -0.786449 -0.030770
C 0.237359 0.565781 -0.002173
C 0.659538 -1.862434 -0.055183
C 1.612458 0.856036 0.002340
C -0.770796 2.896088 0.071008
C 2.525156 -0.232610 -0.022384
C 2.032512 -1.580349 -0.050958
C 4.005270 -0.021212 -0.019790
C 4.552925 1.407702 0.015432
H -2.825326 -2.249319 -1.041059
H -2.457421 -2.614935 0.653989
H -3.684748 1.622220 1.025401
H -3.547648 2.063666 -0.690483
H -4.924993 -1.973561 0.172258
H -4.144782 -1.046610 1.478399
H -5.475018 0.435028 -0.113153
H -4.409497 -0.080156 -1.444846
H 0.307542 -2.899832 -0.078952
H 1.973764 1.889458 0.023765
H -0.252691 3.293395 -0.822007
H -1.780498 3.333123 0.107393
H -0.220684 3.226152 0.972117
H 2.777944 -2.381932 -0.069497
H 4.208008 1.946572 0.917553
H 4.219468 1.984115 -0.867814
H 5.652657 1.364748 0.021086


