%chk=000049788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049788

0 1
 O   0.1018000       2.204500      0.2549000    
 O  -0.9859000      -2.031700      0.3228000    
 N   0.9571000      8.7800004E-02  0.6107000    
 N   -1.307100      0.3527000      6.6200003E-02
 N   -3.066400      -1.048800     -0.2334000    
 C    3.323900     -7.9700001E-02 -8.9800000E-02
 C    2.308400      0.5125000      0.8937000    
 C    3.003100      0.3773000      -1.513300    
 C    3.346900      -1.608600     -2.5300000E-02
 C  -6.3900001E-02  0.9836000      0.3068000    
 C   -1.683100      -1.056900      8.7399997E-02
 C   -2.451500       1.069700     -0.2528000    
 C   -3.483200      0.2377000     -0.4279000    
 H    4.319400      0.2923000      0.1819000    
 H    2.536200      0.1798000       1.912500    
 H    2.372800       1.605900      0.8874000    
 H    3.779900      3.7300002E-02  -2.206800    
 H    2.962200       1.470100      -1.572700    
 H    2.046900     -2.0300001E-02  -1.869700    
 H    2.403700      -2.050300     -0.3631000    
 H    3.538600      -1.951500      0.9968000    
 H    4.143700      -2.005000     -0.6641000    
 H   0.7344000     -0.8966000      0.7103000    
 H   -2.446700       2.145200     -0.3337000    
 H   -3.664800      -1.862100     -0.3096000    
 H   -4.505500      0.4629000     -0.6814000    


%chk=000049788-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049788

0 1
O 0.119670 2.196888 0.089424
O -0.940035 -1.982381 0.544751
N 0.909799 0.056665 0.686792
N -1.339430 0.357130 0.049495
N -3.047236 -1.053317 -0.147688
C 3.312502 -0.096207 -0.093755
C 2.301178 0.456125 0.950478
C 3.032344 0.466307 -1.505630
C 3.343009 -1.643605 -0.097046
C -0.034254 0.957539 0.274760
C -1.690826 -1.017324 0.191141
C -2.466666 1.106597 -0.363928
C -3.521574 0.235960 -0.485274
H 4.308694 0.267753 0.236924
H 2.583947 0.097624 1.959898
H 2.328319 1.559699 0.956690
H 3.791377 0.111770 -2.227095
H 3.039987 1.571366 -1.507870
H 2.041028 0.136322 -1.868434
H 2.374788 -2.061854 -0.432398
H 3.560092 -2.047817 0.910099
H 4.121434 -2.018532 -0.786357
H 0.612861 -0.929485 0.791969
H -2.388574 2.176466 -0.525174
H -3.581798 -1.919074 -0.136601
H -4.549737 0.423186 -0.777369


