%chk=000163677.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163677

0 1
 O    3.018500      0.4655000      5.0000002E-04
 O    2.173200      -1.675600      5.0000002E-04
 N   -1.407200      0.5888000     -2.7000001E-03
 N  -0.9133000       1.816500     -1.9000000E-03
 N   -1.066800      -2.953500     -3.9999999E-04
 C   -2.889300      0.4467000      8.9999998E-04
 C   -3.336000     -0.3237000       1.263300    
 C   -3.343300     -0.3180000      -1.262500    
 C   -3.650300       1.795600      5.4000001E-03
 C  -0.5276000     -0.4194000     -2.0000001E-03
 C   0.6992000      0.1985000     -7.9999998E-04
 C   0.4003000       1.574200     -7.9999998E-04
 C    1.981900     -0.4399000      5.0000002E-04
 C  -0.8233000      -1.809400     -1.1000000E-03
 C    4.353600     -5.1500000E-02  5.0000002E-04
 C    5.330200       1.105300      6.0000003E-04
 H   -4.429400     -0.3334000       1.347400    
 H   -3.021600      -1.369300       1.269700    
 H   -2.939200      0.1475000       2.170300    
 H   -3.022400      -1.361700      -1.278200    
 H   -4.437300     -0.3329000      -1.337200    
 H   -2.956400      0.1609000      -2.169800    
 H   -4.736000       1.643900      7.6000001E-03
 H   -3.400600       2.390900      0.8916000    
 H   -3.404800       2.394600     -0.8794000    
 H    1.078700       2.415900       0.000000    
 H    4.504400     -0.6665000      0.8943000    
 H    4.504300     -0.6663000     -0.8935000    
 H    6.362900      0.7453000      5.0000002E-04
 H    5.176500       1.739400     -0.8788000    
 H    5.176500       1.739100      0.8801000    


%chk=000163677-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163677

0 1
O 3.067234 0.494629 -0.000331
O 2.245825 -1.696805 -0.002831
N -1.502252 0.558615 0.001420
N -0.917480 1.818704 0.002776
N -1.075807 -3.011482 -0.002144
C -3.013166 0.421938 0.002050
C -3.438391 -0.342967 1.282802
C -3.439872 -0.339358 -1.280357
C -3.632883 1.837048 0.004352
C -0.537147 -0.449411 -0.000180
C 0.726042 0.200402 0.000125
C 0.426104 1.591588 0.001902
C 2.041766 -0.457992 -0.001101
C -0.824474 -1.841643 -0.001775
C 4.458219 -0.052833 -0.001610
C 5.401971 1.145056 0.000010
H -4.539963 -0.408573 1.313183
H -3.039527 -1.370633 1.308023
H -3.098704 0.192855 2.186302
H -3.041043 -1.366945 -1.308998
H -4.541480 -0.404923 -1.309618
H -3.101276 0.199052 -2.182726
H -4.732076 1.729540 0.004740
H -3.331224 2.410825 0.895178
H -3.332104 2.413317 -0.885158
H 1.125536 2.423504 0.002634
H 4.580328 -0.691803 0.891706
H 4.579796 -0.688967 -0.897020
H 6.449823 0.793828 -0.000857
H 5.245551 1.771895 -0.894337
H 5.246076 1.769040 0.896442


