%chk=000044837.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044837

0 1
 O   3.4699999E-02 -0.5728000     -5.1000002E-03
 O   -1.285400      -2.458400      1.7500000E-02
 N    4.079700      0.7316000       1.220300    
 N   -3.060200       1.996400     -1.2700000E-02
 C    2.421800     -0.4973000     -1.7400000E-02
 C    1.212900      -1.386200     -3.8999999E-03
 C    2.982400     -9.0800002E-02  -1.215400    
 C   -2.283100     -0.2929000      2.4999999E-03
 C    2.992600     -7.0000000E-02   1.162700    
 C   -1.169100      -1.224600      6.3000000E-03
 C   -3.597300     -0.7467000      1.1400000E-02
 C    4.101600      0.7341000      -1.197100    
 C   -2.069900       1.076300     -9.4999997E-03
 C    4.607300       1.113900      3.5700001E-02
 C   -4.643400      0.1695000      8.2999999E-03
 C   -4.324600       1.517800     -3.7000000E-03
 H    1.220500      -2.023100      0.8892000    
 H    1.211700      -2.038500     -0.8858000    
 H    2.561700     -0.4035000      -2.166600    
 H    2.589800     -0.3586000       2.128200    
 H   -3.826200      -1.808900      2.0900000E-02
 H    4.563100       1.069900      -2.118700    
 H   -1.078500       1.517900     -1.6899999E-02
 H    5.478600       1.756800      0.1044000    
 H   -5.675600     -0.1613000      1.5100000E-02
 H   -5.103900       2.272800     -6.5000001E-03


%chk=000044837-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044837

0 1
O 0.045820 -0.498908 0.395141
O -1.227755 -2.420563 0.013435
N 4.741793 0.196788 0.840929
N -3.207907 2.043619 0.026626
C 2.474357 -0.516517 0.220273
C 1.264062 -1.353769 0.550740
C 2.553263 0.243851 -0.973442
C -2.297362 -0.230098 -0.008980
C 3.592761 -0.497503 1.090014
C -1.150052 -1.172396 0.126727
C -3.578060 -0.759414 -0.311197
C 3.728792 0.974707 -1.244835
C -2.163514 1.174867 0.152982
C 4.795613 0.919421 -0.316281
C -4.665021 0.127384 -0.442838
C -4.433965 1.513208 -0.268211
H 1.292681 -1.719098 1.592726
H 1.151905 -2.226219 -0.119765
H 1.704099 0.269517 -1.664685
H 3.574896 -1.061433 2.031646
H -3.692270 -1.841210 -0.434707
H 3.823241 1.576192 -2.154254
H -1.190508 1.613048 0.393605
H 5.725956 1.471104 -0.492407
H -5.669326 -0.238985 -0.675311
H -5.252297 2.235808 -0.364733


