%chk=000070847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070847

0 1
 O   0.3118000      0.5295000       2.131900    
 O   -1.859600       2.197200      -1.800300    
 O  -0.6031000       2.454900      7.6200001E-02
 N    2.520200       1.625700       1.215300    
 C   -1.142000     -0.4109000      0.5592000    
 C    1.424500     -0.3395000      0.2670000    
 C   0.1833000     -4.5800000E-02   1.042500    
 C   -1.892100      0.4625000     -0.2281000    
 C    2.520400      0.4865000      0.3797000    
 C   -1.657300      -1.662100      0.8978000    
 C    1.415800      -1.452300     -0.5464000    
 C   -3.157600      8.4700003E-02 -0.6768000    
 C    3.665700      0.1861000     -0.3576000    
 C   -2.922800      -2.039900      0.4492000    
 C   -3.673100      -1.166500     -0.3382000    
 C    2.561200      -1.752700      -1.283700    
 C    3.686200     -0.9336000      -1.189300    
 C   -1.381600       1.776000     -0.5985000    
 H   -1.085000      -2.351400       1.513800    
 H   0.5650000      -2.117000     -0.6407000    
 H   -3.773000      0.7469000      -1.280200    
 H    4.549500      0.8159000     -0.2936000    
 H   -3.324700      -3.013500      0.7141000    
 H   -4.659800      -1.459800     -0.6845000    
 H    2.578100      -2.625400      -1.930100    
 H    4.578100      -1.167800      -1.763000    
 H    3.345100       2.209200       1.265500    
 H    1.694600       1.889100       1.734500    
 H   -1.510600       3.081500      -2.042400    


%chk=000070847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070847

0 1
O 0.189202 0.993456 1.994301
O -2.489732 2.176892 -1.988957
O -0.430248 2.208175 -0.924379
N 2.817513 1.201176 1.753735
C -1.147572 -0.285450 0.471513
C 1.420583 -0.128153 0.231420
C 0.194646 0.267126 0.934523
C -1.992899 0.379399 -0.465059
C 2.712892 0.365131 0.665457
C -1.608067 -1.479732 1.076077
C 1.361800 -0.992808 -0.902767
C -3.269357 -0.158777 -0.778548
C 3.879763 -0.035447 -0.061000
C -2.876349 -2.013216 0.757586
C -3.710905 -1.351085 -0.173015
C 2.514082 -1.377299 -1.600986
C 3.779142 -0.887326 -1.168111
C -1.533388 1.640507 -1.107422
H -0.967060 -1.989038 1.803437
H 0.382720 -1.361363 -1.228159
H -3.898820 0.372775 -1.496924
H 4.859577 0.336751 0.262605
H -3.211597 -2.939569 1.236798
H -4.696067 -1.760060 -0.420338
H 2.445790 -2.041917 -2.467566
H 4.688757 -1.178853 -1.706193
H 3.722440 1.569781 2.036717
H 1.943055 1.459976 2.234286
H -2.122702 3.016448 -2.375727


