%chk=000045170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045170

0 1
 O   0.5264000       1.091800     -0.2947000    
 O  -4.7699999E-02   3.824200     -0.5049000    
 O    3.720500      0.8843000      0.8397000    
 N    3.730300      0.5499000      -1.429000    
 C  -0.2177000      -1.158900      4.5000002E-02
 C   0.8134000     -0.2276000     -8.9400001E-02
 C   -1.604400     -0.7528000     -2.8500000E-02
 C    2.143400     -0.6416000     -1.5600000E-02
 C   8.5400000E-02  -2.505500      0.2535000    
 C    2.444300      -1.987600      0.1927000    
 C    1.415300      -2.919600      0.3273000    
 C   -2.282200     -0.3744000       1.130400    
 C   -2.263600     -0.7399000      -1.257600    
 C   0.3804000       1.907600      0.8642000    
 C    3.235200      0.3131000     -0.1511000    
 C   -3.619200      1.6799999E-02   1.060200    
 C   -3.600700     -0.3487000      -1.327900    
 C  -0.5807000       3.039100      0.5547000    
 C   -4.278500      2.9800000E-02 -0.1690000    
 H  -0.7034000      -3.246600      0.3608000    
 H    3.476800      -2.322500      0.2528000    
 H    1.649700      -3.967600      0.4896000    
 H   -1.786000     -0.3834000       2.097900    
 H   -1.749900      -1.031300      -2.170700    
 H   1.7800000E-02   1.332700       1.723200    
 H    1.365500       2.315900       1.114600    
 H   -4.147200      0.3106000       1.962600    
 H   -4.114000     -0.3384000      -2.284900    
 H  -0.7363000       3.681000       1.426600    
 H   -1.547200       2.652500      0.2195000    
 H   -5.319500      0.3344000     -0.2237000    
 H    3.350800      8.6800002E-02  -2.248600    
 H    4.494100       1.200300      -1.580500    
 H   0.8012000       4.188700     -0.2015000    


%chk=000045170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045170

0 1
O 0.298136 1.220264 -0.726556
O 1.420804 3.285334 1.163387
O 3.175859 1.853149 -0.340143
N 3.978153 0.185438 -1.711657
C -0.257715 -0.985429 0.274461
C 0.682531 -0.026162 -0.217984
C -1.736515 -0.769613 0.236703
C 2.068598 -0.348090 -0.294685
C 0.242963 -2.228241 0.747000
C 2.523479 -1.613781 0.153644
C 1.615284 -2.545305 0.696981
C -2.548070 -1.143959 1.341862
C -2.371603 -0.255372 -0.927367
C -0.517618 2.136943 0.133980
C 3.081318 0.660938 -0.774178
C -3.952251 -1.006029 1.288759
C -3.775718 -0.125312 -0.983120
C 0.261023 3.443729 0.307788
C -4.573326 -0.497669 0.124520
H -0.471988 -2.972669 1.114541
H 3.594644 -1.843302 0.122304
H 1.970578 -3.513241 1.064174
H -2.073539 -1.521646 2.255256
H -1.759662 0.029918 -1.789451
H -1.483175 2.299451 -0.380013
H -0.693594 1.662011 1.115722
H -4.559281 -1.289422 2.155893
H -4.247684 0.263910 -1.892350
H -0.401541 4.178079 0.805538
H 0.529979 3.841596 -0.694903
H -5.662929 -0.391224 0.081594
H 3.862723 -0.729865 -2.142893
H 4.715225 0.809880 -2.040261
H 2.117213 2.748791 0.669154


