%chk=000001855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001855

0 1
 O    2.431500       2.014100      0.1055000    
 O    4.515600     -0.6914000      0.5681000    
 O   -3.353900      -1.690800      0.5953000    
 O   -2.262900       2.727700     -6.6799998E-02
 N  -0.6923000       1.105400     -0.4854000    
 N   -2.817200      0.5205000      0.2757000    
 C    2.146800     -0.4065000      0.1344000    
 C    1.110000     -0.4159000      -1.001200    
 C  -0.3000000     -0.2160000     -0.5193000    
 C    2.134700      0.9044000      0.9421000    
 C    3.536400     -0.6824000     -0.4625000    
 C   -1.143300      -1.202800     -0.1560000    
 C   -2.532900     -0.8348000      0.2729000    
 C  -0.8284000      -2.670000     -0.1123000    
 C   -1.944300       1.538300     -9.0499997E-02
 H    1.916800      -1.214600      0.8419000    
 H    1.182600      -1.362000      -1.552600    
 H    1.360300      0.3497000      -1.748900    
 H    1.168800       1.072700       1.427500    
 H    2.886100      0.8714000       1.738400    
 H    3.820300      8.4399998E-02  -1.190600    
 H    3.562700      -1.653600     -0.9679000    
 H  -1.7100001E-02   1.809800     -0.7693000    
 H   -1.426000      -3.207400     -0.8559000    
 H   -1.056700      -3.079400      0.8777000    
 H   0.2241000      -2.889600     -0.3083000    
 H   -3.750500      0.7964000      0.5676000    
 H    2.411700       2.808100      0.6665000    
 H    4.270000      -1.389400       1.198900    


%chk=000001855-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001855

0 1
O 1.972799 2.026468 -0.167847
O 4.688443 -0.561819 0.564109
O -3.576055 -1.635110 0.509352
O -2.115022 2.799186 0.197260
N -0.620669 1.064279 -0.311479
N -2.813821 0.557326 0.317776
C 2.214532 -0.377350 0.217110
C 1.109522 -0.583730 -0.869332
C -0.310164 -0.296413 -0.421579
C 2.164745 1.004211 0.895360
C 3.603354 -0.603614 -0.428664
C -1.258992 -1.270703 -0.156330
C -2.615048 -0.851713 0.241101
C -1.000132 -2.758456 -0.264659
C -1.868532 1.567138 0.075680
H 2.066071 -1.129972 1.020301
H 1.167290 -1.623527 -1.231997
H 1.349466 0.077095 -1.724667
H 1.323988 1.064413 1.613513
H 3.119970 1.174012 1.426900
H 3.830017 0.223345 -1.122328
H 3.616676 -1.558420 -0.994714
H 0.155436 1.743607 -0.441698
H -0.824080 -3.075168 -1.310500
H -1.890708 -3.296432 0.099852
H -0.130574 -3.080943 0.337232
H -3.749724 0.870787 0.592190
H 2.289861 2.908649 0.143077
H 4.654252 -1.380844 1.119981


