%chk=000028173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028173

0 1
 O    2.815000       1.983000      0.9511000    
 O    4.183900      0.7112000     -0.5697000    
 N   -1.474600      -2.199300     -0.1852000    
 C   -1.858700     -0.3685000       1.307900    
 C   -2.180600       1.066800      0.7832000    
 C  -0.9109000      -1.114500      0.3510000    
 C   -2.898600       1.120100     -0.5736000    
 C   -1.327400     -0.2624000       2.757800    
 C   -3.189300      -1.158500       1.389800    
 C   0.3584000     -0.6352000      0.1395000    
 C   -3.212900       2.564000     -0.9720000    
 C    1.162700      -1.388300     -0.7580000    
 C   0.8693000      0.5231000      0.7518000    
 C    2.163300      0.8968000      0.4531000    
 C    2.476600     -0.9707000      -1.033800    
 C   0.6215000      -2.534900      -1.348200    
 C   -3.955600       2.627000      -2.297200    
 C    2.943900      0.1712000     -0.4143000    
 C  -0.6813000      -2.889700      -1.032300    
 C    4.095100       1.858800      0.2991000    
 H   -1.321200       1.732300      0.7216000    
 H   -2.841100       1.547400       1.520300    
 H   -2.277100      0.6583000      -1.349000    
 H   -3.842200      0.5673000     -0.5346000    
 H  -0.5837000      0.5098000       2.945300    
 H   -2.149100     -2.8800000E-02   3.447200    
 H  -0.9001000      -1.218400       3.083900    
 H   -3.043600      -2.133900       1.872200    
 H   -3.659800      -1.344700      0.4182000    
 H   -3.926000     -0.6168000       1.996300    
 H   -2.283100       3.138800      -1.053200    
 H   -3.823500       3.041000     -0.1965000    
 H   0.3615000       1.168100       1.443400    
 H    3.114400      -1.525800      -1.715200    
 H    1.196000      -3.143200      -2.040100    
 H   -4.908300       2.091000      -2.239400    
 H   -3.360000       2.184200      -3.101800    
 H   -4.167000       3.667300      -2.563900    
 H   -1.135300      -3.772600      -1.470700    
 H    4.873700       1.779200       1.066400    
 H    4.276200       2.762700     -0.2938000    


%chk=000028173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028173

0 1
O 2.847317 2.121609 0.734021
O 4.195582 0.812153 -0.759057
N -1.472893 -2.283266 -0.102782
C -2.016276 -0.427844 1.414376
C -2.382929 1.026245 0.939770
C -1.019339 -1.130166 0.448647
C -2.797575 1.161459 -0.543087
C -1.424451 -0.382080 2.859561
C -3.334376 -1.246462 1.503768
C 0.314994 -0.626253 0.142889
C -3.226878 2.601540 -0.906811
C 1.147443 -1.407374 -0.766750
C 0.859301 0.598005 0.685355
C 2.137506 0.968423 0.319315
C 2.478354 -0.981688 -1.119751
C 0.614913 -2.615813 -1.313017
C -3.625279 2.751954 -2.390906
C 2.941306 0.194390 -0.567684
C -0.674484 -3.004504 -0.960444
C 4.176380 2.043755 0.076287
H -1.551131 1.729827 1.136301
H -3.220729 1.368735 1.582027
H -1.954923 0.858393 -1.196551
H -3.630604 0.466758 -0.768651
H -0.465452 0.157809 2.927586
H -2.143271 0.117111 3.536276
H -1.258990 -1.407966 3.236379
H -3.141154 -2.271758 1.858488
H -3.830753 -1.339384 0.524878
H -4.021493 -0.743704 2.211478
H -2.397025 3.300296 -0.673215
H -4.077801 2.903240 -0.261741
H 0.289084 1.228849 1.363077
H 3.088209 -1.578968 -1.802576
H 1.216428 -3.221917 -1.998596
H -4.469019 2.082435 -2.643858
H -2.780616 2.490145 -3.055819
H -3.932805 3.787684 -2.626093
H -1.120995 -3.922334 -1.358783
H 4.958095 1.962168 0.850740
H 4.306828 2.921699 -0.578447


