%chk=000049716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049716

0 1
 O    2.409700      -2.910600      -1.114600    
 N  -9.7000003E-02  -1.548600      0.4138000    
 N    2.754000     -0.6441000     -0.6732000    
 C  -0.1242000     -0.2600000     -0.3146000    
 C   -2.422000      -1.334800       1.230300    
 C  -0.9418000      -1.498900       1.615100    
 C   -1.539600      0.2828000     -0.5155000    
 C   -2.618400     -0.1983000      0.2492000    
 C   0.8998000      0.7542000      0.2161000    
 C    1.251000      -2.000600      0.7600000    
 C   -2.987000      -2.637600      0.6479000    
 C    2.279300      0.5660000     -5.8400001E-02
 C   -1.771700       1.286900      -1.472900    
 C    2.168500      -1.901700     -0.4472000    
 C   -3.896600      0.3520000      6.3500002E-02
 C   0.5007000       1.895100      0.9363000    
 C   -3.047000       1.821500      -1.650100    
 C   -4.107700       1.358100     -0.8782000    
 C    3.189200       1.581000      0.2848000    
 C    3.911000     -0.5555000      -1.560500    
 C    1.425700       2.870500       1.305100    
 C    2.764000       2.722800      0.9630000    
 H   0.1822000     -0.4949000      -1.345700    
 H   -2.974200      -1.099800       2.149900    
 H  -0.6316000     -0.6767000       2.274200    
 H  -0.8326000      -2.422600       2.198400    
 H    1.216200      -3.056300       1.057500    
 H    1.686000      -1.456700       1.608000    
 H   -2.504000      -2.905200     -0.2987000    
 H   -2.845700      -3.468300       1.347700    
 H   -4.062000      -2.551300      0.4540000    
 H  -0.9529000       1.664000      -2.081100    
 H   -4.738800     -9.7000003E-03  0.6484000    
 H  -0.5397000       2.053100       1.207300    
 H   -3.211200       2.600800      -2.388400    
 H   -5.101600       1.774100      -1.014400    
 H    4.251000       1.483400      7.5199999E-02
 H    3.975700      -1.435400      -2.207200    
 H    4.821900     -0.5142000     -0.9557000    
 H    3.831900      0.3316000      -2.196600    
 H    1.097300       3.751600       1.848700    
 H    3.483400       3.487400       1.241300    


%chk=000049716-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049716

0 1
O 2.650928 -2.930815 -1.047711
N -0.108858 -1.525601 0.440165
N 2.728877 -0.620202 -0.719411
C -0.114990 -0.268018 -0.372082
C -2.434208 -1.313243 1.265650
C -0.946839 -1.435120 1.660115
C -1.533054 0.270992 -0.544740
C -2.619742 -0.197357 0.239444
C 0.878591 0.772694 0.181926
C 1.263620 -2.002552 0.755483
C -2.975922 -2.662581 0.719579
C 2.275723 0.555135 -0.022715
C -1.759010 1.275465 -1.520616
C 2.241365 -1.907442 -0.423866
C -3.908333 0.360557 0.029956
C 0.474604 1.919507 0.905775
C -3.042361 1.820271 -1.723934
C -4.127001 1.361233 -0.937963
C 3.221424 1.507520 0.433527
C 3.810448 -0.498948 -1.721668
C 1.417363 2.855664 1.384786
C 2.794028 2.655194 1.132860
H 0.254182 -0.558169 -1.376657
H -3.010796 -1.051598 2.176986
H -0.645389 -0.577354 2.311794
H -0.792941 -2.361251 2.244756
H 1.206955 -3.069106 1.029761
H 1.708996 -1.441751 1.615600
H -2.345759 -3.004903 -0.119418
H -2.959293 -3.436976 1.509497
H -4.015168 -2.561136 0.359165
H -0.914178 1.633111 -2.122173
H -4.747023 0.001337 0.639958
H -0.595399 2.097413 1.057836
H -3.198359 2.592741 -2.484975
H -5.129427 1.779892 -1.081680
H 4.289272 1.340322 0.257829
H 3.770597 -1.388880 -2.369113
H 4.808742 -0.469853 -1.245091
H 3.665995 0.416197 -2.318594
H 1.080537 3.740540 1.935384
H 3.533005 3.382170 1.487273


