%chk=000097825.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097825

0 1
 O    3.450000      0.3797000      0.1316000    
 O    2.676100      -1.740800     -0.3600000    
 N   -4.776100      -1.269200      0.3738000    
 C   -1.306900     -6.4999998E-02 -0.1203000    
 C   -2.388400     -0.9210000      8.7899998E-02
 C   -3.682100     -0.4046000      0.1632000    
 C   -1.519000       1.307300     -0.2531000    
 C   4.1999999E-02 -0.6030000     -0.1984000    
 C   -3.894000      0.9679000      3.0500000E-02
 C   -2.812400       1.823700     -0.1778000    
 C    1.177300      0.1067000     -1.3400000E-02
 C    4.801600     -8.9100003E-02  7.8900002E-02
 C    2.495800     -0.5598000     -0.1087000    
 C    5.735900       1.067100      0.3658000    
 H   -2.229500      -1.992400      0.1938000    
 H  -0.7108000       2.009300     -0.4362000    
 H   0.1089000      -1.667500     -0.4135000    
 H   -4.897300       1.382500      8.6199999E-02
 H   -2.978600       2.891700     -0.2857000    
 H    1.177400       1.163400      0.2290000    
 H    4.944700     -0.8756000      0.8282000    
 H    5.009000     -0.4943000     -0.9178000    
 H    6.780000      0.7435000      0.3336000    
 H    5.591600       1.869600     -0.3650000    
 H    5.528400       1.494500       1.352400    
 H   -4.623900      -2.264400      0.4696000    
 H   -5.714000     -0.8949000      0.4277000    


%chk=000097825-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097825

0 1
O 3.549032 0.426995 0.074705
O 2.685638 -1.748085 0.099799
N -4.819979 -1.373420 0.043144
C -1.340976 0.034517 0.037826
C -2.419436 -0.889531 0.048707
C -3.772530 -0.451646 0.031588
C -1.623123 1.432129 0.008638
C 0.025001 -0.505924 0.057756
C -4.033114 0.949460 0.002537
C -2.961833 1.868441 -0.008638
C 1.197671 0.199767 0.056167
C 4.922816 -0.153907 0.097357
C 2.494171 -0.503125 0.078976
C 5.897241 1.019930 0.106233
H -2.200049 -1.965262 0.071251
H -0.808784 2.162743 -0.000733
H 0.120620 -1.602223 0.076743
H -5.068723 1.310796 -0.011135
H -3.182467 2.941734 -0.031340
H 1.238133 1.292908 0.039127
H 5.018787 -0.791602 0.995270
H 5.044554 -0.798942 -0.792217
H 6.937039 0.645079 0.122761
H 5.767350 1.645968 -0.793161
H 5.741460 1.653413 0.996234
H -4.636105 -2.371971 0.063676
H -5.786692 -1.062940 0.031027


