%chk=000029079.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029079

0 1
 O    2.058200      0.4771000      0.6435000    
 O   0.3469000      -3.162300      5.2200001E-02
 O    2.148800      -1.960600      0.4354000    
 O   -4.119500       1.124100     -0.2380000    
 O   -3.935000      -1.060900     -0.4099000    
 O    2.365800      0.6811000      -1.668100    
 N   0.9153000      -2.061400      0.2389000    
 N   -3.433500      7.4400000E-02 -0.2295000    
 C  -7.4400000E-02   1.523300      0.4137000    
 C   0.7139000      0.3727000      0.4291000    
 C   0.1281000     -0.8768000      0.2265000    
 C   -1.448500       1.424400      0.1951000    
 C   -2.034300      0.1750000     -7.7999998E-03
 C   -1.246000     -0.9757000      7.8999996E-03
 C   0.5339000       2.870100      0.6293000    
 C    2.811500      0.6353000     -0.5292000    
 C    4.268700      0.7401000     -0.1891000    
 H   -2.045000       2.333800      0.1849000    
 H   -1.705700      -1.948400     -0.1504000    
 H    1.196400       2.862500       1.501300    
 H    1.105100       3.174000     -0.2535000    
 H  -0.2281000       3.634600      0.8163000    
 H    4.435900       1.610100      0.4505000    
 H    4.847400      0.8661000      -1.108600    
 H    4.599900     -0.1740000      0.3094000    


%chk=000029079-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029079

0 1
O 2.064727 0.607840 0.575403
O 0.391275 -3.166457 0.482560
O 2.176479 -1.965828 -0.268413
O -4.262661 1.066895 -0.069122
O -4.016862 -1.196428 -0.231647
O 2.570842 1.008798 -1.683059
N 0.953025 -2.061812 0.128683
N -3.545353 -0.005043 -0.093927
C -0.137068 1.614557 0.329115
C 0.690537 0.458302 0.315893
C 0.118151 -0.833718 0.161594
C -1.529765 1.442721 0.188160
C -2.072745 0.147473 0.047634
C -1.272795 -1.005649 0.039669
C 0.483506 2.984917 0.484948
C 2.979452 0.766513 -0.541427
C 4.385754 0.592498 -0.046414
H -2.204820 2.302917 0.186224
H -1.711172 -2.001631 -0.058529
H 1.149040 3.022813 1.365201
H 1.098191 3.234643 -0.399420
H -0.291017 3.760450 0.594751
H 4.529218 1.101765 0.920156
H 5.098583 0.968565 -0.794049
H 4.561278 -0.486498 0.115914


