%chk=000126187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126187

1 1
 O    3.573800      0.3172000     -0.1361000    
 N   -1.874600     -0.3302000      0.2514000    
 C  -0.5399000     -0.1800000      0.1571000    
 C  -9.3999999E-03   1.112500     -5.0799999E-02
 C   -2.475200      -1.652200      0.4690000    
 C   -2.732800      0.6941000      0.1570000    
 C   0.3098000      -1.285600      0.2631000    
 C  -0.8969000       2.192400     -0.1513000    
 C    1.382500       1.265600     -0.1488000    
 C   -2.267600       1.982600     -4.6700001E-02
 C    2.224900      0.1569000     -4.1900001E-02
 C    1.689900      -1.114400      0.1634000    
 C   -2.760900      -2.303100     -0.8696000    
 C    4.376400     -0.8559000     -1.5900001E-02
 H   -1.867400      -2.267100       1.135400    
 H   -3.418200      -1.511300       1.013400    
 H   -3.792800      0.4814000      0.2375000    
 H  -3.5500001E-02  -2.303800      0.3975000    
 H  -0.5262000       3.202100     -0.3118000    
 H    1.815800       2.251100     -0.3085000    
 H   -2.960300       2.813700     -0.1252000    
 H    2.289500      -2.014300      0.2494000    
 H   -3.432700      -1.686400      -1.475600    
 H   -3.237200      -3.277200     -0.7222000    
 H   -1.843800      -2.457800      -1.446200    
 H    5.421400     -0.5436000     -0.1133000    
 H    4.178400      -1.564400     -0.8274000    
 H    4.272100      -1.316000      0.9726000    


%chk=000126187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126187

1 1
O 3.600470 0.339168 -0.141344
N -1.980659 -0.314548 0.275316
C -0.581431 -0.212307 0.167828
C 0.004564 1.102181 -0.032184
C -2.642930 -1.659280 0.450884
C -2.779423 0.785840 0.182398
C 0.275224 -1.346395 0.253386
C -0.862632 2.238714 -0.126303
C 1.414343 1.233093 -0.130173
C -2.245616 2.077944 -0.021027
C 2.247587 0.104397 -0.036900
C 1.660056 -1.193141 0.155192
C -2.791816 -2.417522 -0.881385
C 4.548176 -0.792484 -0.047844
H -2.060976 -2.234240 1.188929
H -3.631960 -1.470155 0.899018
H -3.854598 0.618180 0.276154
H -0.127472 -2.351331 0.394329
H -0.428853 3.231926 -0.280070
H 1.870077 2.216466 -0.278231
H -2.930490 2.925382 -0.087712
H 2.295926 -2.079985 0.225684
H -3.410856 -1.851223 -1.597766
H -3.293468 -3.381697 -0.690056
H -1.819049 -2.628936 -1.355751
H 5.537712 -0.330704 -0.159997
H 4.377410 -1.516779 -0.864743
H 4.473783 -1.286265 0.937868


