%chk=000063822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063822

0 1
 O   -4.715000     -0.7173000     -0.9525000    
 O   0.4958000       2.233400      9.3000002E-02
 N   -2.362200      0.3909000      0.2044000    
 N  -0.1111000      0.1404000      0.9212000    
 N    1.406500      -1.687900      0.8357000    
 C   -2.445400      -1.031600     -0.1552000    
 C   -3.698100      0.9047000      0.5380000    
 C   -1.436300      0.5916000       1.317000    
 C   -3.425800      -1.217000      -1.309700    
 C   -4.649600      0.6729000     -0.6323000    
 C   0.7572000       1.056100      0.3212000    
 C    2.081400      0.5041000     -4.6900000E-02
 C   0.2620000      -1.172700       1.142900    
 C    2.349900     -0.8440000      0.2258000    
 C    3.042900       1.317800     -0.6556000    
 C    3.600600      -1.365900     -0.1221000    
 C    4.284100      0.7818000     -0.9955000    
 C    4.563100     -0.5574000     -0.7295000    
 H   -2.774300      -1.632100      0.7024000    
 H   -1.494700      -1.422200     -0.5256000    
 H   -3.650500       1.979000      0.7499000    
 H   -4.087800      0.3984000       1.430700    
 H   -1.385800       1.654500       1.579900    
 H   -1.755100      3.6800001E-02   2.208700    
 H   -3.078900     -0.7148000      -2.221200    
 H   -3.534800      -2.281800      -1.540000    
 H   -5.658800      0.9999000     -0.3624000    
 H   -4.343900       1.239200      -1.520600    
 H  -0.4990000      -1.790900       1.643300    
 H    2.844300       2.363800     -0.8710000    
 H    3.833800      -2.408900      7.8800000E-02
 H    5.034700       1.408600      -1.468300    
 H    5.530700     -0.9732000     -0.9952000    


%chk=000063822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063822

0 1
O -4.606269 -0.149640 -1.362149
O -0.002815 1.961599 0.359285
N -2.457979 -0.076473 0.538694
N -0.069255 -0.253427 1.129728
N 1.756340 -1.809937 0.840886
C -3.220995 -1.321845 0.332695
C -3.216695 1.155298 0.232950
C -1.486716 -0.033303 1.604653
C -3.791968 -1.345796 -1.098724
C -3.780941 1.063103 -1.194522
C 0.579404 0.839455 0.475698
C 1.934603 0.523287 -0.013620
C 0.548937 -1.493992 1.273244
C 2.476549 -0.791915 0.179118
C 2.699981 1.517822 -0.677372
C 3.781674 -1.083899 -0.305184
C 3.987637 1.214635 -1.148305
C 4.526811 -0.090597 -0.961077
H -4.063759 -1.412271 1.060749
H -2.554600 -2.195130 0.468532
H -2.527381 2.014955 0.302631
H -4.062187 1.303055 0.946565
H -1.491647 0.958452 2.087922
H -1.664675 -0.812331 2.374104
H -2.954229 -1.398563 -1.827472
H -4.469111 -2.203844 -1.244193
H -4.453918 1.907687 -1.415313
H -2.942203 1.047544 -1.922655
H -0.038432 -2.255633 1.799613
H 2.257545 2.510930 -0.807431
H 4.174746 -2.092654 -0.147442
H 4.579546 1.980198 -1.660891
H 5.531905 -0.320572 -1.331417


