%chk=000153421.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153421

0 1
 O   -2.236100      0.2469000      0.4620000    
 O    3.580200      -2.400900      0.1566000    
 O    2.008600       2.440500     -0.7657000    
 O   -3.263800      -1.035700      -1.161400    
 N    1.421300      0.5761000      4.3900002E-02
 N    2.208900       1.630700      0.1474000    
 C   9.0000004E-02  0.7741000      0.6431000    
 C    2.032500     -0.6284000      0.5857000    
 C  -0.9741000      4.3099999E-02 -0.1599000    
 C    2.995500      -1.240200     -0.4193000    
 C   -3.303700     -0.3527000     -0.1470000    
 C   -4.559400     -5.3599998E-02  0.6146000    
 H  -0.1926000       1.838000      0.6449000    
 H   6.0800001E-02  0.4798000       1.701900    
 H    1.281200      -1.399800      0.8051000    
 H    2.535500     -0.4508000       1.547700    
 H  -0.7660000      -1.032400     -0.1976000    
 H   -1.007400      0.4334000      -1.184700    
 H    3.805000     -0.5498000     -0.6781000    
 H    2.473800      -1.533900      -1.336600    
 H    4.185500      -2.774500     -0.5065000    
 H   -4.733900       1.025100      0.6319000    
 H   -4.478800     -0.4474000       1.630900    
 H   -5.407400     -0.5359000      0.1200000    


%chk=000153421-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153421

0 1
O -2.154106 0.768857 -0.043226
O 2.664268 -2.726092 -0.139852
O 1.650711 2.965374 0.090156
O -1.726325 -1.519127 -0.197986
N 1.589162 0.771964 0.548436
N 2.334879 1.873707 0.167991
C 0.152478 0.889534 0.883458
C 2.314686 -0.506773 0.642671
C -0.727102 1.032156 -0.382117
C 1.857468 -1.528990 -0.415987
C -2.533458 -0.579747 0.000163
C -4.012083 -0.711237 0.279084
H 0.015992 1.775888 1.528547
H -0.128977 -0.021208 1.436194
H 2.172149 -0.948671 1.646474
H 3.385546 -0.282622 0.507029
H -0.405328 0.318795 -1.160537
H -0.712342 2.061469 -0.764898
H 2.062301 -1.132203 -1.432868
H 0.773030 -1.741453 -0.319293
H 2.336753 -3.480627 -0.689043
H -4.574414 -0.594798 -0.665572
H -4.352660 0.076040 0.969501
H -4.227027 -1.708536 0.690573


