%chk=000029862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029862

0 1
 O    1.820200     -0.1197000     -5.2999999E-02
 O   0.5963000       1.745400      0.4612000    
 O   -1.278200      -2.433900      6.2899999E-02
 N  -0.4503000     -0.3185000      0.2847000    
 N  -0.2402000      -1.765700      6.0000001E-03
 C   -1.790700      0.1613000      0.5838000    
 C   -2.549200      0.5834000     -0.6690000    
 C   -3.945100       1.107400     -0.3629000    
 C   0.6527000      0.5354000      0.2486000    
 C    2.999600      0.6911000     -0.1102000    
 C    4.184900     -0.1862000     -0.4520000    
 H   -1.698000       1.029600       1.247800    
 H   -2.345400     -0.5966000       1.148500    
 H   -1.984900       1.359700      -1.200000    
 H   -2.631100     -0.2661000      -1.357500    
 H   -3.898500       1.984500      0.2904000    
 H   -4.453000       1.397800      -1.287900    
 H   -4.549700      0.3409000      0.1322000    
 H    2.875400       1.461500     -0.8793000    
 H    3.161100       1.168900      0.8624000    
 H    5.105100      0.4023000     -0.5041000    
 H    4.310600     -0.9736000      0.2985000    
 H    4.029700     -0.6859000      -1.413900    


%chk=000029862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029862

0 1
O 1.831205 -0.158324 -0.040251
O 0.538792 1.732439 0.443395
O -1.295967 -2.467254 0.114038
N -0.459758 -0.383579 0.308151
N -0.230315 -1.773612 0.064430
C -1.811421 0.159605 0.585566
C -2.553678 0.593932 -0.699809
C -3.960647 1.132768 -0.366331
C 0.655960 0.498780 0.247223
C 3.047309 0.722101 -0.109048
C 4.212917 -0.191473 -0.464490
H -1.689787 1.018369 1.265718
H -2.375032 -0.641312 1.096343
H -1.961277 1.375544 -1.211089
H -2.631869 -0.269157 -1.386787
H -3.904055 2.004932 0.311151
H -4.485794 1.452204 -1.283640
H -4.579909 0.359025 0.124176
H 2.865000 1.501063 -0.870413
H 3.170827 1.212108 0.872996
H 5.142631 0.402237 -0.528472
H 4.350175 -0.973187 0.301356
H 4.045994 -0.684208 -1.437013


