%chk=000155738.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155738

0 1
 O   -5.566500       1.575600      1.9600000E-02
 O   -4.253900     -0.2557000       1.384600    
 O   9.7400002E-02  0.4067000       1.529400    
 N  -0.3840000      -1.446000      0.2258000    
 N   -2.543100     -0.4532000     -0.1612000    
 C   -1.812200      -1.482100      0.5363000    
 C   -2.249900      -2.879100      0.1001000    
 C   -1.339500      -3.166300      -1.088700    
 C  -1.5200000E-02  -2.548900     -0.6619000    
 C   -4.336400       1.165700     -0.5761000    
 C   -3.723300      8.5000001E-02  0.3273000    
 C   0.4604000     -0.5045000      0.7859000    
 C   -3.432900       2.405700     -0.7032000    
 C   -4.657500      0.5924000      -1.959500    
 C    1.894800     -0.6223000      0.4570000    
 C   -3.151700       3.101300      0.6255000    
 C    2.617500      0.4964000      0.4153000    
 C    4.054600      0.5440000      9.2500001E-02
 C    4.816300     -0.6065000      0.2181000    
 C    4.615900       1.737900     -0.3303000    
 C    6.176600     -0.5616000     -8.7099999E-02
 C    5.976300       1.782700     -0.6355000    
 C    6.756500      0.6328000     -0.5140000    
 H   -1.953900      -1.343700       1.614300    
 H   -2.036900      -3.602100      0.8975000    
 H   -3.311300      -2.952400     -0.1554000    
 H   -1.721300      -2.658300      -1.982400    
 H   -1.252800      -4.232900      -1.313100    
 H   0.5845000      -3.260800     -8.4200002E-02
 H   0.5743000      -2.184800      -1.508300    
 H   -2.162900     -0.1267000      -1.043400    
 H   -2.476800       2.138900      -1.168700    
 H   -3.915000       3.139700      -1.361600    
 H   -5.265400     -0.3155000      -1.869100    
 H   -5.246200       1.305100      -2.548400    
 H   -3.756300      0.3396000      -2.526800    
 H    2.290600      -1.604000      0.2346000    
 H   -2.683500       2.423200       1.345200    
 H   -2.464900       3.939000      0.4648000    
 H   -4.063500       3.509900       1.070800    
 H   -5.395600       1.835000      0.9402000    
 H    2.157300       1.462800      0.6095000    
 H    4.413900      -1.551900      0.5677000    
 H    4.021100       2.641800     -0.4314000    
 H    6.785900      -1.455200      1.2400000E-02
 H    6.428100       2.712800     -0.9680000    
 H    7.815900      0.6680000     -0.7505000    


%chk=000155738-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155738

0 1
O -5.716630 1.583309 -0.069624
O -4.438985 -0.369462 1.159036
O -0.000650 0.750667 1.046760
N -0.424507 -1.359431 0.175468
N -2.603333 -0.403051 -0.254994
C -1.828357 -1.314741 0.629955
C -2.290402 -2.787190 0.531322
C -1.447822 -3.354018 -0.637484
C -0.072950 -2.666033 -0.453486
C -4.476348 1.190549 -0.742716
C -3.828941 0.074664 0.127378
C 0.443671 -0.307333 0.483428
C -3.555015 2.441049 -0.840617
C -4.839954 0.641534 -2.144272
C 1.874777 -0.486919 0.117273
C -3.074173 2.974712 0.523875
C 2.768803 0.521204 0.353948
C 4.210346 0.529286 0.069688
C 4.903060 -0.576563 -0.506227
C 4.956887 1.702112 0.382480
C 6.286217 -0.506992 -0.759081
C 6.342544 1.772804 0.129202
C 7.013488 0.667855 -0.443491
H -1.897895 -0.913685 1.656344
H -2.044910 -3.305266 1.476680
H -3.377330 -2.853350 0.376577
H -1.893780 -3.059085 -1.604403
H -1.365345 -4.453075 -0.618176
H 0.582139 -3.256890 0.217553
H 0.452839 -2.519144 -1.413806
H -2.085149 0.067577 -0.999403
H -2.686202 2.216826 -1.494816
H -4.149479 3.216278 -1.360538
H -5.479972 -0.253178 -2.054383
H -5.408721 1.415408 -2.688060
H -3.942909 0.381891 -2.737168
H 2.189691 -1.435209 -0.331463
H -2.376373 2.272472 1.015946
H -2.542980 3.935436 0.398710
H -3.940047 3.143990 1.187333
H -5.805618 0.976164 0.723833
H 2.349230 1.429631 0.811630
H 4.358018 -1.493911 -0.755409
H 4.437759 2.559783 0.827357
H 6.803618 -1.365447 -1.201676
H 6.897491 2.684072 0.377019
H 8.089703 0.718199 -0.641899


