%chk=000031955.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031955

0 1
 O   0.2304000       1.196400      0.9087000    
 O    1.066300       1.273100      -1.259700    
 N  -0.2825000      -1.551200      0.5796000    
 N    2.401300       1.841000      0.5507000    
 C   -1.240600     -0.5743000      0.2319000    
 C  -0.9658000      0.7826000      0.4029000    
 C   -2.471200     -0.9765000     -0.2875000    
 C   0.2187000      -2.473600     -0.4188000    
 C   0.2002000      -1.651500       1.941800    
 C   -1.921600       1.737100      5.4699998E-02
 C   -3.426900     -2.1900000E-02 -0.6356000    
 C   -3.152100       1.334800     -0.4645000    
 C    1.660200      -2.313700     -0.6077000    
 C    1.231800       1.427400     -5.3199999E-02
 C    3.608300       2.155400     -0.1777000    
 C    2.843300      -2.185300     -0.7658000    
 H   -2.703300      -2.030000     -0.4213000    
 H  -5.4000001E-03  -3.500900     -0.1076000    
 H  -0.2803000      -2.331200      -1.385600    
 H   0.4987000      -2.678800       2.178700    
 H  -0.5767000      -1.369900       2.661600    
 H    1.070000      -1.005800       2.099400    
 H   -1.715000       2.795800      0.1858000    
 H   -4.385600     -0.3351000      -1.038500    
 H   -3.896500       2.077900     -0.7352000    
 H    2.417100       1.919100       1.562900    
 H    3.955600       3.140000      0.1444000    
 H    3.432800       2.156800      -1.255900    
 H    4.362400       1.405300      7.3299997E-02
 H    3.892600      -2.068900     -0.9053000    


%chk=000031955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031955

0 1
O 0.159501 1.451182 0.978748
O 1.091081 1.733463 -1.199037
N 0.060937 -1.323825 0.256589
N 2.310262 2.147337 0.773322
C -1.075269 -0.492130 0.071765
C -1.035564 0.891157 0.430140
C -2.288832 -0.967133 -0.506324
C 0.118980 -2.565234 -0.545922
C 0.651988 -1.429180 1.609097
C -2.144212 1.735868 0.271308
C -3.399537 -0.115414 -0.689285
C -3.343029 1.236943 -0.287390
C 1.484422 -3.114875 -0.659979
C 1.207756 1.772436 0.043240
C 3.553430 2.584992 0.134150
C 2.602421 -3.618893 -0.779723
H -2.378479 -2.019442 -0.793593
H -0.540596 -3.366652 -0.128761
H -0.252337 -2.334081 -1.561747
H 0.083105 -2.139425 2.251577
H 0.650976 -0.440665 2.089477
H 1.692591 -1.786094 1.529525
H -2.043890 2.786565 0.562039
H -4.316360 -0.517936 -1.134523
H -4.205840 1.897271 -0.419341
H 2.228386 2.130310 1.789844
H 3.783462 3.639490 0.376210
H 3.424037 2.494581 -0.955983
H 4.405451 1.951580 0.442235
H 3.581356 -4.048094 -0.891157


