%chk=000068221.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068221

0 1
 O    3.820800      0.4311000     -0.1136000    
 O    3.367400      -1.934600     -8.8299997E-02
 O    1.775100       2.418800     -0.1433000    
 O   -3.179700       1.915700     -0.1510000    
 O   -1.760400      -2.513200     -9.3099996E-02
 N  -0.8196000       1.592900     -0.1384000    
 C  -0.1142000     -0.7402000     -0.1090000    
 C   0.1444000      0.6622000     -0.1246000    
 C    2.487600      0.1576000     -0.1130000    
 C    1.469100       1.090900     -0.1261000    
 C   -1.445000      -1.182200     -0.1074000    
 C    2.231100      -1.187800     -9.8399997E-02
 C   0.9417000      -1.668800     -9.5799997E-02
 C   -2.461100     -0.2195000     -0.1218000    
 C   -2.074900       1.114700     -0.1366000    
 C    4.373400     -0.9011000     -9.7199999E-02
 C   -3.878200     -0.2223000     -0.1265000    
 C   -4.263800       1.097600     -0.1448000    
 C    1.916400       3.067200       1.118800    
 C   -2.530400      -2.979200       1.010000    
 H   0.7673000      -2.740300     -8.4100001E-02
 H    4.998000      -1.011200      0.7968000    
 H    5.002800      -1.031100     -0.9850000    
 H   -4.546400      -1.070900     -0.1269000    
 H   -5.222800       1.594500     -0.1570000    
 H   0.9860000       3.006400       1.692100    
 H    2.147100       4.120700      0.9385000    
 H    2.737900       2.622300       1.689200    
 H   -3.588000      -3.020800      0.7371000    
 H   -2.391000      -2.362900       1.905200    
 H   -2.202500      -3.996400       1.244000    


%chk=000068221-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068221

0 1
O 4.083044 0.279559 -0.025871
O 3.570034 -2.052952 0.110481
O 2.114824 2.399732 -0.143265
O -3.028012 2.000184 0.106936
O -1.526905 -2.591782 0.386168
N -0.676530 1.594811 0.064422
C 0.027310 -0.796059 0.203773
C 0.321752 0.632815 0.105989
C 2.682481 0.090841 0.012345
C 1.703058 1.081765 0.024140
C -1.350901 -1.215226 0.283770
C 2.370860 -1.296501 0.093845
C 1.080495 -1.773417 0.198948
C -2.369149 -0.236942 0.249969
C -1.910589 1.127215 0.134442
C 4.643270 -1.081906 -0.219352
C -3.827144 -0.165624 0.292339
C -4.164230 1.165945 0.204605
C 1.541771 3.453212 0.729489
C -2.880681 -3.149524 0.483755
H 0.850555 -2.836276 0.270850
H 5.483023 -1.225021 0.476497
H 4.929936 -1.205854 -1.281095
H -4.546742 -0.974960 0.374785
H -5.118072 1.686301 0.195556
H 0.461891 3.556626 0.548414
H 2.090344 4.364854 0.448555
H 1.732869 3.209550 1.792001
H -3.469829 -2.919579 -0.422510
H -3.398226 -2.775638 1.385753
H -2.732408 -4.236050 0.564068


