%chk=000033632.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033632

0 1
 O   -3.680700      0.7421000     -0.2765000    
 O    2.497100      -1.795600     -0.3051000    
 O    3.966300      3.7000000E-02  0.2340000    
 N   -1.423700       1.086100     -0.2923000    
 N   -2.368400      -1.002400      0.3906000    
 C  -3.8600001E-02  0.8518000     -0.1511000    
 C    1.828100     -0.6175000     -0.1760000    
 C    2.667100      0.4289000      0.1319000    
 C   0.4682000     -0.4383000     -0.3247000    
 C   -4.567600     -0.3604000     -0.1743000    
 C   -3.766500      -1.412000      0.5522000    
 C   -2.443400      0.2202000     -3.5700001E-02
 C   0.8186000       1.921000      0.1636000    
 C    2.192300       1.712300      0.3083000    
 C    3.851300      -1.373200     -4.4700000E-02
 H  -0.1466000      -1.284900     -0.6043000    
 H   -4.850200     -0.6803000      -1.182600    
 H   -5.469900     -7.4699998E-02  0.3740000    
 H   -4.016300      -1.434400       1.618700    
 H   -3.943900      -2.409700      0.1395000    
 H   -1.666900       2.051300     -0.4961000    
 H   0.4192000       2.923500      0.2988000    
 H    2.856400       2.533800      0.5515000    
 H    4.467100      -1.609300     -0.9201000    
 H    4.234100      -1.933400      0.8162000    


%chk=000033632-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033632

0 1
O -3.732242 0.845959 -0.046192
O 2.593242 -1.826238 0.128967
O 4.091670 0.054849 0.037889
N -1.427847 1.111462 -0.038922
N -2.430174 -1.106477 0.070888
C -0.031532 0.849987 -0.020428
C 1.859834 -0.614283 0.062040
C 2.737866 0.487044 0.008784
C 0.472028 -0.484459 0.050161
C -4.729665 -0.267953 0.025021
C -3.851038 -1.570603 0.074606
C -2.458954 0.200352 0.000233
C 0.847104 1.966472 -0.073972
C 2.255764 1.795416 -0.059523
C 4.026789 -1.429583 0.106425
H -0.214011 -1.333284 0.092485
H -5.366308 -0.199221 -0.871912
H -5.334899 -0.112139 0.933154
H -4.046012 -2.164075 0.985567
H -4.030867 -2.221599 -0.799821
H -1.723117 2.087400 -0.086920
H 0.435545 2.981045 -0.127482
H 2.932411 2.652311 -0.100186
H 4.501123 -1.852647 -0.796483
H 4.506391 -1.767837 1.041423


