%chk=000041229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041229

0 1
 O    2.657800      -1.402400      0.5981000    
 O   -1.523700       1.527600       2.037000    
 O    4.851300      -1.855800      2.1500001E-02
 N    3.821800      0.1148000     -0.6768000    
 C   -1.450400       1.377100      0.6110000    
 C  -3.4000002E-02   1.097100      0.2318000    
 C   -2.433700      0.3155000      0.1328000    
 C   0.5739000     -8.8699996E-02  0.6574000    
 C    1.882800     -0.2976000      0.2804000    
 C    2.564800      0.6238000     -0.4847000    
 C   0.6729000       2.033400     -0.5508000    
 C    1.999500       1.800300     -0.9212000    
 C   -2.977800      0.4329000      -1.128900    
 C   -2.748300     -0.7282000      0.9773000    
 C    3.883500      -1.106900     -2.6000001E-02
 C   -3.878100     -0.5385000      -1.566400    
 C   -3.648500      -1.699800      0.5397000    
 C   -4.213400      -1.604800     -0.7321000    
 H   -1.775000       2.344300      0.2063000    
 H   6.2399998E-02 -0.8198000       1.271400    
 H   0.1912000       2.952200     -0.8767000    
 H    2.548300       2.515200      -1.522300    
 H    4.563800      0.5600000      -1.202100    
 H   -2.720400       1.259300      -1.784400    
 H   -2.320600     -0.8253000       1.970100    
 H  -0.7599000       2.054300       2.328700    
 H   -4.317600     -0.4650000      -2.556800    
 H   -3.909300      -2.530600       1.188800    
 H   -4.914100      -2.361400      -1.072900    


%chk=000041229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041229

0 1
O 2.885844 -1.347240 0.316975
O -1.461219 1.133010 2.315650
O 5.115878 -1.739913 -0.414541
N 3.908996 0.266298 -0.925708
C -1.428033 1.249051 0.841750
C -0.006818 1.054536 0.316156
C -2.439355 0.239528 0.288836
C 0.692384 -0.146646 0.626854
C 1.991790 -0.261971 0.141445
C 2.619604 0.751762 -0.632525
C 0.617197 2.070804 -0.451273
C 1.941154 1.939124 -0.944212
C -2.470089 -0.037625 -1.101211
C -3.382417 -0.383736 1.140329
C 4.121387 -1.005950 -0.371213
C -3.430989 -0.925154 -1.633125
C -4.340479 -1.276550 0.607132
C -4.371024 -1.548647 -0.779446
H -1.760831 2.271759 0.552083
H 0.220132 -0.935939 1.217508
H 0.058981 2.988636 -0.671176
H 2.405005 2.733738 -1.535976
H 4.631324 0.736521 -1.466533
H -1.735044 0.431378 -1.766658
H -3.349101 -0.167916 2.211298
H -0.763553 1.726803 2.691856
H -3.443073 -1.134250 -2.708832
H -5.063501 -1.758089 1.275396
H -5.114951 -2.240322 -1.190640


