%chk=000004725.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004725

0 1
 O    5.029800       1.583200       1.005700    
 O    4.436700      -1.435100      -1.783700    
 O   -4.567800      -1.045200     -0.4437000    
 N  -0.2100000     -0.8482000      0.6788000    
 N   -1.271200       1.259800      0.1065000    
 N   -1.977800      -2.176200      0.3969000    
 N   -3.591700       1.056700     -0.4774000    
 N   -2.486300       3.138400     -0.4736000    
 C    3.575400     -0.1212000      7.5599998E-02
 C    2.095900     -0.4598000     -0.2284000    
 C    1.157900     -0.4454000      0.9847000    
 C    3.668800       1.259300      0.7491000    
 C    4.466000     -0.1519000      -1.174500    
 C   -1.230100     -6.0800001E-02  0.3010000    
 C   -2.309300     -0.8778000      0.1297000    
 C  -0.6981000      -2.124400      0.7266000    
 C   -3.586100     -0.3302000     -0.2831000    
 C   -2.502100       1.778900     -0.2902000    
 H    3.959100     -0.8816000      0.7690000    
 H    2.049000      -1.453100     -0.6932000    
 H    1.713100      0.2410000     -0.9824000    
 H    1.094200      0.5509000       1.433500    
 H    1.525900      -1.129700       1.758300    
 H    3.250300       2.041400      0.1074000    
 H    3.144900       1.283900       1.708400    
 H    5.508600      6.7000002E-02 -0.9237000    
 H    4.124600      0.5846000      -1.910100    
 H  -8.7399997E-02  -2.973100       1.003200    
 H  -0.4697000       1.870100      0.2286000    
 H    5.389200      0.8934000       1.589400    
 H    5.008900      -1.392200      -2.568800    
 H   -1.643000       3.682400     -0.3273000    
 H   -3.319800       3.638600     -0.7629000    


%chk=000004725-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004725

0 1
O 4.906303 1.952824 0.903569
O 4.499890 -1.727743 -1.266188
O -4.673348 -0.815225 -0.690030
N -0.183309 -1.030442 0.653125
N -1.161917 1.239991 0.242127
N -2.045158 -2.276385 0.164123
N -3.488942 1.200554 -0.431530
N -2.363265 3.239385 -0.199507
C 3.518375 0.027484 0.058395
C 2.070600 -0.413296 -0.283165
C 1.217007 -0.706164 0.974580
C 3.579011 1.523424 0.443530
C 4.468711 -0.263693 -1.114225
C -1.194238 -0.148656 0.297881
C -2.340537 -0.907606 0.003224
C -0.763126 -2.319976 0.544150
C -3.594014 -0.237605 -0.397676
C -2.381348 1.855494 -0.139111
H 3.880754 -0.579739 0.916498
H 2.120456 -1.331480 -0.894850
H 1.577467 0.363180 -0.904328
H 1.232097 0.148586 1.680510
H 1.641825 -1.570694 1.515010
H 3.385067 2.155631 -0.441882
H 2.807223 1.754655 1.211371
H 5.475291 0.140483 -0.886855
H 4.089027 0.223014 -2.040293
H -0.190652 -3.219465 0.760214
H -0.319197 1.777613 0.449757
H 5.143393 1.453622 1.726017
H 5.127574 -1.977658 -1.988437
H -1.556623 3.810273 0.036556
H -3.236499 3.683313 -0.473161


