%chk=000093785.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093785

0 1
 O   -3.215400       2.001700     -0.8425000    
 O   -1.911100       2.513600      0.8567000    
 N  -0.5648000      -1.417000     -0.4301000    
 N   -2.171700       1.877200     -0.1788000    
 C   -1.029300      -2.602400      0.2752000    
 C   -2.469700      -2.226800      0.6278000    
 C   -2.442800     -0.7047000      0.7848000    
 C   -1.339200     -0.3011000     -0.1639000    
 C   0.6742000      -1.456700      -1.172100    
 C    1.681500     -0.5818000     -0.4873000    
 C   -1.212300      0.9459000     -0.6348000    
 C    2.667700      5.0799999E-02  -1.236800    
 C    1.621000     -0.4095000      0.8915000    
 C    3.604600      0.8647000     -0.6001000    
 C    2.557800      0.4046000       1.528200    
 C    3.549500       1.041700      0.7823000    
 H  -0.4377000      -2.778200       1.179700    
 H  -0.9976000      -3.498600     -0.3529000    
 H   -2.826000      -2.737800       1.527200    
 H   -3.136400      -2.500500     -0.2002000    
 H   -2.170000     -0.4396000       1.812800    
 H   -3.428300     -0.2930000      0.5508000    
 H   0.4919000      -1.111400      -2.196900    
 H    1.069000      -2.477900      -1.234100    
 H  -0.4896000       1.359400      -1.319200    
 H    2.720700     -8.1200004E-02  -2.313900    
 H   0.8930000     -0.9070000       1.522700    
 H    4.377200       1.360200      -1.180600    
 H    2.520200      0.5370000       2.605600    
 H    4.279900       1.674200       1.278400    


%chk=000093785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093785

0 1
O -3.177115 3.058879 -0.485200
O -3.989078 1.328869 0.782230
N -0.677831 -1.000609 -0.508169
N -3.097223 1.838089 -0.028805
C -0.613167 -2.336765 0.140592
C -2.064733 -2.557046 0.623538
C -2.626163 -1.120159 0.815327
C -1.759076 -0.253350 -0.089973
C 0.441063 -0.536776 -1.344812
C 1.714383 -0.224724 -0.554069
C -1.968976 1.073067 -0.446626
C 2.946869 -0.813649 -0.926657
C 1.681518 0.666961 0.549408
C 4.132193 -0.513614 -0.215890
C 2.863246 0.964130 1.262588
C 4.092839 0.376249 0.881016
H 0.113633 -2.318941 0.977704
H -0.273888 -3.094116 -0.589530
H -2.110373 -3.152067 1.549725
H -2.643732 -3.086582 -0.153099
H -2.531123 -0.763018 1.857419
H -3.691673 -1.017754 0.564748
H 0.107595 0.351726 -1.910015
H 0.658527 -1.323662 -2.092718
H -1.294610 1.646756 -1.081315
H 2.982883 -1.507298 -1.776377
H 0.733384 1.129013 0.849182
H 5.080161 -0.974104 -0.515415
H 2.827326 1.656428 2.110986
H 5.009440 0.609869 1.433709


