%chk=000057558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057558

0 1
 O   -1.267500       1.399300      6.1900001E-02
 O    5.173300      0.5993000     -0.1201000    
 N   -5.051700     -0.4703000      0.2623000    
 N  -0.2130000     -0.6985000      0.1240000    
 C   -6.220900      0.3965000      0.2318000    
 C   -5.792600     -0.3676000     -0.9869000    
 C   -3.826400      0.3168000      0.1981000    
 C   -2.606700     -0.5993000      0.1998000    
 C   -1.297400      0.1745000      0.1197000    
 C    1.161400     -0.3672000      6.2300000E-02
 C    2.103900      -1.381800      7.8000002E-02
 C    1.534600      0.9644000     -1.2700000E-02
 C    3.458700      -1.055300      1.6899999E-02
 C    2.889500       1.290800     -7.3799998E-02
 C    3.851500      0.2809000     -5.9000000E-02
 C    6.103400     -0.4826000     -0.1023000    
 H   -6.074900       1.468900      0.2454000    
 H   -7.084300      3.7999999E-02  0.7763000    
 H   -6.367900      -1.242800      -1.260800    
 H   -5.372900      0.1794000      -1.820600    
 H   -3.771100      0.9586000       1.088300    
 H   -3.771100      0.9971000     -0.6636000    
 H   -2.648200      -1.281200     -0.6589000    
 H   -2.590800      -1.206400       1.113700    
 H  -0.4151000      -1.694700      0.1773000    
 H    1.807700      -2.425400      0.1369000    
 H   0.8524000       1.801300     -2.9100001E-02
 H    4.152600      -1.888800      3.2400001E-02
 H    3.190800       2.333200     -0.1333000    
 H    5.986200      -1.128500     -0.9792000    
 H    6.050100      -1.043700      0.8368000    
 H    7.106500     -4.7400001E-02 -0.1579000    


%chk=000057558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057558

0 1
O -1.277824 1.342654 -0.692777
O 5.266075 0.600670 -0.069751
N -5.065151 -0.514882 0.368658
N -0.253551 -0.688596 -0.103011
C -6.287525 0.347973 0.559361
C -5.934324 -0.181581 -0.822956
C -3.760848 0.202650 0.423530
C -2.701577 -0.620802 -0.338437
C -1.357078 0.111196 -0.393592
C 1.131117 -0.340365 -0.100902
C 2.066954 -1.359812 0.203594
C 1.603161 0.971805 -0.386995
C 3.452593 -1.094800 0.226540
C 2.983119 1.235622 -0.364733
C 3.915314 0.213043 -0.060314
C 6.262566 -0.427453 0.233329
H -6.140391 1.423188 0.733544
H -7.100339 -0.107569 1.133081
H -6.489889 -1.022589 -1.249189
H -5.552570 0.545481 -1.553972
H -3.474999 0.295911 1.487840
H -3.796975 1.227835 -0.011708
H -3.053582 -0.767979 -1.378770
H -2.619042 -1.623376 0.121430
H -0.459794 -1.661419 0.135181
H 1.715853 -2.376284 0.425296
H 0.884003 1.758368 -0.621183
H 4.147253 -1.905404 0.464752
H 3.361860 2.238877 -0.582583
H 6.225129 -1.255204 -0.502091
H 6.126571 -0.833543 1.255148
H 7.233989 0.083886 0.165381


