%chk=000000457.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000457

1 1
 O    2.885700     -0.6571000     -1.0100000E-02
 N   -1.678900      0.5298000     -1.4000000E-03
 N    2.335600       1.569100      3.5000001E-03
 C   0.5901000     -0.1307000      2.6000000E-03
 C  -0.3804000      0.8609000       0.000000    
 C   -2.094300     -0.7442000     -7.9999998E-04
 C   0.1874000      -1.462800      3.4000000E-03
 C   -1.168200      -1.777500      1.6000000E-03
 C   -2.677500       1.595000     -3.1000001E-03
 C    2.000600      0.2175000      4.3000001E-03
 H  -0.1922000       1.924100      3.0000000E-03
 H   -3.161800     -0.9286000      2.0999999E-03
 H   0.9121000      -2.272500      5.7999999E-03
 H   -1.495200      -2.811800      3.4000000E-03
 H   -2.398600       2.334500     -0.7593000    
 H   -3.665700       1.195100     -0.2443000    
 H   -2.686900       2.044400      0.9937000    
 H    1.677600       2.338200      9.6000005E-03
 H    3.313600       1.841100     -2.0999999E-03


%chk=000000457-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000457

1 1
O 2.885521 -0.749816 -0.005642
N -1.759785 0.540755 -0.012031
N 2.502187 1.537976 0.005501
C 0.586381 -0.060320 -0.000209
C -0.429991 0.907983 -0.009344
C -2.128126 -0.783617 -0.004986
C 0.212720 -1.431701 0.005261
C -1.149818 -1.789562 0.003669
C -2.807830 1.612694 0.002915
C 2.085715 0.228475 -0.000306
H -0.247015 1.984966 -0.015493
H -3.198332 -0.999147 -0.006428
H 1.016492 -2.175857 0.009091
H -1.464145 -2.835502 0.006965
H -2.568599 2.372723 -0.756549
H -3.786815 1.171781 -0.231678
H -2.846327 2.076714 1.001706
H 1.890049 2.351138 0.014838
H 3.510719 1.704816 0.004619


