%chk=000034799.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034799

0 1
 O    3.154000     -0.6798000      0.7974000    
 N   -2.446800      0.5007000      0.2918000    
 C   -1.495900      0.1021000     -0.7528000    
 C   -1.556500      -1.414500     -0.9974000    
 C  -0.8352000      -2.190800      9.9200003E-02
 C  -9.6900001E-02  0.5709000     -0.4032000    
 C   0.6427000      -1.810100      0.1362000    
 C   0.8904000     -0.3243000      5.2800000E-02
 C    2.166000      0.1640000      0.3783000    
 C   0.2128000       1.938300     -0.5054000    
 C   -3.786000      4.3499999E-02 -3.6699999E-02
 C    2.457700       1.523300      0.2715000    
 C    1.481300       2.410200     -0.1700000    
 C   -4.778800      0.4097000       1.047100    
 C    3.991200      -1.243200     -0.2086000    
 H   -1.780400      0.5932000      -1.694300    
 H   -1.020900      -1.612800      -1.939200    
 H   -2.546700      -1.829300      -1.189900    
 H  -0.9283000      -3.268400     -7.8199998E-02
 H   -1.302200      -1.987000       1.070500    
 H    1.145800      -2.288800     -0.7127000    
 H    1.077800      -2.218600       1.056000    
 H   -2.449900       1.515800      0.3885000    
 H  -0.5381000       2.645900     -0.8495000    
 H   -4.121200      0.4663000     -0.9908000    
 H   -3.863000      -1.043400     -9.3199998E-02
 H    3.445800       1.896300      0.5274000    
 H    1.706600       3.469300     -0.2550000    
 H   -4.500300     -3.5700001E-02   2.008400    
 H   -4.837900       1.495500       1.178800    
 H   -5.779400      4.9300000E-02  0.7862000    
 H    3.404900      -1.717500      -1.001100    
 H    4.624100      -2.002600      0.2587000    
 H    4.635300     -0.4690000     -0.6375000    


%chk=000034799-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034799

0 1
O 3.085471 -1.052669 0.242256
N -2.475966 0.212001 0.339034
C -1.672839 -0.182827 -0.856591
C -1.749109 -1.713811 -1.079095
C -0.952042 -2.444046 0.018804
C -0.227929 0.289260 -0.671787
C 0.547747 -2.094727 -0.073779
C 0.798990 -0.608388 -0.286734
C 2.120328 -0.092245 -0.123751
C 0.066637 1.664172 -0.879894
C -3.922511 0.402689 0.104014
C 2.414156 1.275834 -0.319464
C 1.372878 2.154202 -0.702002
C -4.641800 0.797148 1.405657
C 4.458905 -0.591554 0.445373
H -2.076371 0.325851 -1.768646
H -1.338783 -1.959544 -2.080234
H -2.807548 -2.035196 -1.069704
H -1.084735 -3.539473 -0.060151
H -1.357679 -2.123291 0.997067
H 1.013518 -2.651017 -0.914472
H 1.088422 -2.430513 0.830200
H -2.056913 1.014665 0.827840
H -0.736788 2.341095 -1.195995
H -4.128091 1.170337 -0.686602
H -4.345367 -0.549240 -0.271712
H 3.428821 1.662814 -0.186784
H 1.593710 3.214511 -0.867517
H -4.496852 0.018563 2.174919
H -4.246895 1.750822 1.806581
H -5.725356 0.928033 1.232555
H 4.882321 -0.160224 -0.483056
H 5.025369 -1.491597 0.726989
H 4.518301 0.156865 1.259980


