%chk=000034568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034568

0 1
 O    1.210300       2.200000      0.2677000    
 O    5.281500     -0.2773000      0.3103000    
 N  -0.2063000     -9.4899997E-02 -0.5023000    
 N  -0.8066000     -0.3541000      0.5670000    
 C    1.183000     -0.1304000     -0.2939000    
 C    1.867800       1.020200      8.7499999E-02
 C   -4.947800     -0.2485000     -5.0099999E-02
 C    3.935800     -0.2291000      0.1126000    
 C    3.247000      0.9707000      0.2912000    
 C    1.866500      -1.329900     -0.4732000    
 C   -2.189300     -0.3187000      0.3602000    
 C    3.245400      -1.379400     -0.2696000    
 C   -4.246800      -1.441200     -0.2268000    
 C   -4.269800      0.9092000      0.3316000    
 C   -2.867600      -1.476400     -2.1400001E-02
 C   -2.890600      0.8742000      0.5368000    
 C   -6.422700     -0.2114000     -0.2686000    
 C    1.087500       3.053100     -0.8684000    
 C    5.922700      -1.535900      0.1094000    
 H    3.786100       1.866300      0.5900000    
 H    1.336300      -2.230600     -0.7718000    
 H    3.717600      -2.343300     -0.4260000    
 H   -4.764100      -2.350200     -0.5220000    
 H   -4.805300       1.844100      0.4743000    
 H   -2.330100      -2.411000     -0.1601000    
 H   -2.371000       1.781200      0.8349000    
 H   -6.746100      0.7754000     -0.6168000    
 H   -6.727300     -0.9357000      -1.031800    
 H   -6.946500     -0.4432000      0.6641000    
 H    2.075600       3.360800      -1.225200    
 H   0.5308000       3.945000     -0.5682000    
 H   0.5375000       2.551700      -1.671100    
 H    5.835400      -1.870600     -0.9299000    
 H    5.563500      -2.288500      0.8196000    
 H    6.989300      -1.390900      0.3098000    


%chk=000034568-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034568

0 1
O 1.932628 2.599631 -0.145637
O 5.579395 -0.351904 -0.022572
N -0.040698 0.346398 -0.127365
N -0.783479 -0.738851 -0.113098
C 1.358817 0.117323 -0.100880
C 2.255690 1.247233 -0.111256
C -5.041630 -0.261558 -0.190659
C 4.183243 -0.272731 -0.046935
C 3.653846 1.029785 -0.083650
C 1.934389 -1.190504 -0.063754
C -2.191138 -0.493381 -0.140861
C 3.314191 -1.405340 -0.037031
C -4.416300 -1.533959 -0.148890
C -4.209277 0.894953 -0.208134
C -3.011391 -1.651737 -0.124046
C -2.808946 0.791128 -0.183699
C -6.552869 -0.124840 -0.213057
C 0.554186 3.110829 -0.187988
C 6.190203 -1.684881 0.016138
H 4.323906 1.892512 -0.091578
H 1.233778 -2.031229 -0.056805
H 3.709013 -2.424517 -0.009241
H -5.036120 -2.438221 -0.135772
H -4.677731 1.886931 -0.241754
H -2.521539 -2.630724 -0.091857
H -2.174419 1.682182 -0.197713
H -6.892123 0.445160 -1.098571
H -7.049410 -1.109895 -0.234969
H -6.919568 0.417719 0.679201
H 0.024301 2.750641 -1.085559
H 0.681636 4.204929 -0.215337
H -0.012490 2.799932 0.705516
H 5.924715 -2.275078 -0.881791
H 5.892807 -2.237101 0.928074
H 7.274086 -1.500134 0.031332


