%chk=000155689.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155689

0 1
 O    1.454400     -0.7004000       1.765800    
 O   -5.208900      -1.659500     -5.3599998E-02
 N    5.555100      6.3299999E-02 -0.1937000    
 N    1.971900      0.9770000      0.2510000    
 N   -4.359600      0.4888000     -0.5251000    
 C    4.118500      1.7300000E-02 -0.4330000    
 C    3.396900      0.9866000      0.4918000    
 C    6.262400     -0.8324000      -1.098400    
 C  -0.3219000      0.2174000      0.5409000    
 C    1.081200      0.1232000      0.9119000    
 C   -1.157700     -0.8897000      0.6870000    
 C  -0.8322000       1.415000      3.9999999E-02
 C   -3.014000      0.3984000     -0.1685000    
 C    7.760300     -0.7964000     -0.8468000    
 C   -2.503700     -0.7992000      0.3325000    
 C   -2.178200       1.505500     -0.3146000    
 C   -5.343000     -0.5070000     -0.4519000    
 C   -6.681400     -7.8999996E-03 -0.9353000    
 H    3.894900      0.2781000      -1.475300    
 H    3.740000     -0.9982000     -0.2627000    
 H    3.582300      0.7314000       1.541400    
 H    3.740800       2.013400      0.3253000    
 H    5.896300       1.016300     -0.3169000    
 H    1.639000       1.586200     -0.4885000    
 H    5.911400      -1.861900     -0.9607000    
 H    6.073400     -0.5507000      -2.141100    
 H  -0.7776000      -1.832900       1.071400    
 H  -0.2251000       2.309700     -6.0500000E-02
 H    8.275100      -1.480900      -1.528600    
 H    7.996100      -1.100400      0.1786000    
 H    8.165100      0.2084000      -1.008100    
 H   -3.087900      -1.698100      0.4726000    
 H   -2.564200       2.447000     -0.6976000    
 H   -4.654200       1.395200     -0.8826000    
 H   -7.019300      0.8163000     -0.3007000    
 H   -7.416800     -0.8159000     -0.8904000    
 H   -6.597500      0.3375000      -1.969600    


%chk=000155689-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155689

0 1
O 1.565616 -0.935502 1.374929
O -5.348815 -1.663460 -0.058472
N 5.656656 0.137350 -0.323193
N 1.989741 0.990811 0.146045
N -4.514114 0.496737 -0.458273
C 4.207602 0.056527 -0.591556
C 3.437264 0.953049 0.408382
C 6.484779 -0.895126 -0.987716
C -0.331851 0.193936 0.356692
C 1.132495 0.032217 0.669790
C -1.169760 -0.938668 0.514886
C -0.923910 1.417206 -0.054858
C -3.130246 0.343713 -0.173015
C 7.967450 -0.729257 -0.611882
C -2.550323 -0.883695 0.252154
C -2.303268 1.492817 -0.315589
C -5.537673 -0.459719 -0.392397
C -6.915929 0.095834 -0.753665
H 3.927234 0.336251 -1.639320
H 3.881101 -0.987877 -0.436505
H 3.595677 0.553838 1.423391
H 3.828660 1.988603 0.374469
H 6.026757 1.082694 -0.501384
H 1.630257 1.670141 -0.524253
H 6.122639 -1.884668 -0.647251
H 6.379030 -0.883335 -2.102495
H -0.707672 -1.869676 0.859519
H -0.327592 2.334072 -0.135957
H 8.582907 -1.517624 -1.081443
H 8.090979 -0.786288 0.483462
H 8.358386 0.249610 -0.951620
H -3.186899 -1.761880 0.368929
H -2.746286 2.450316 -0.619506
H -4.799494 1.435826 -0.747364
H -7.260668 0.820539 0.007369
H -7.630496 -0.738672 -0.790540
H -6.908333 0.603859 -1.735763


