%chk=000025777.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025777

0 1
 O  -0.3412000      -1.473400     -0.3772000    
 O    1.373800      0.3348000      0.8565000    
 O   -3.758900       1.849200     -0.4684000    
 O    2.074600       1.056500      -1.239800    
 N    3.586800      0.1680000      0.2789000    
 C   -1.066900      -2.544700      0.2227000    
 C  -0.7569000     -0.2079000     -9.2000000E-02
 C   -1.682000      -3.406300     -0.8696000    
 C  -0.1315000      -3.344800       1.116300    
 C   0.1033000      0.6992000      0.5266000    
 C   -2.054900      0.1784000     -0.4260000    
 C  -0.3345000       1.992600      0.8115000    
 C   -2.492700       1.471800     -0.1414000    
 C   -1.632500       2.378900      0.4774000    
 C    2.335900      0.5669000     -0.1448000    
 C    4.777700      0.2807000     -0.5307000    
 H   -1.878800      -2.167800      0.8597000    
 H   -2.245300      -4.243200     -0.4456000    
 H   -2.356700      -2.818100      -1.499600    
 H  -0.9065000      -3.807300      -1.531600    
 H  -0.6527000      -4.179500       1.594900    
 H   0.2924000      -2.703700       1.896900    
 H   0.7134000      -3.741000      0.5422000    
 H   -2.726300     -0.5197000     -0.9183000    
 H   0.3301000       2.704500       1.293700    
 H   -1.967700       3.387900      0.7015000    
 H   -4.214000       1.098500     -0.8873000    
 H    3.674800     -0.2277000       1.209800    
 H    5.504500      0.8879000      1.4500000E-02
 H    4.560700      0.7406000      -1.497600    
 H    5.184500     -0.7224000     -0.6799000    


%chk=000025777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025777

0 1
O -0.201922 -1.199834 0.764685
O 1.401581 1.043270 0.682038
O -4.140599 1.687934 -0.098159
O 1.769058 -0.170950 -1.337494
N 3.422756 0.095023 0.317253
C -0.834348 -2.481666 0.325623
C -0.832718 0.011452 0.480683
C -0.882701 -2.552299 -1.209716
C 0.039603 -3.569905 0.955482
C 0.005296 1.159645 0.444189
C -2.226566 0.173281 0.287474
C -0.542385 2.439453 0.254997
C -2.761889 1.469140 0.091998
C -1.931276 2.610174 0.081587
C 2.173753 0.253790 -0.232097
C 4.496603 -0.615230 -0.378734
H -1.856862 -2.534244 0.757446
H -1.273825 -3.535361 -1.530307
H -1.527766 -1.765510 -1.636748
H 0.131994 -2.413005 -1.619822
H -0.376363 -4.569093 0.733687
H 0.090909 -3.442289 2.050251
H 1.064401 -3.515474 0.548481
H -2.892355 -0.697546 0.308288
H 0.134291 3.299033 0.237423
H -2.374064 3.597074 -0.072264
H -4.638945 0.833769 -0.084546
H 3.574950 0.488037 1.246157
H 5.361631 0.047146 -0.568915
H 4.101534 -0.963896 -1.346173
H 4.838723 -1.493019 0.200534


