%chk=000155291.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155291

0 1
 O    5.729500     -0.6328000      4.0700000E-02
 O    3.778100      -2.563300     -0.3277000    
 O    5.002900       2.033000      0.2295000    
 O   7.4400000E-02   1.966600     -0.7473000    
 O   -6.787700       1.279600      0.1586000    
 N  -0.5861000     -0.1309000      8.4899999E-02
 N   -6.914000      -1.027300     -5.3199999E-02
 N   -8.295300      -1.024800     -8.2699999E-02
 C    1.763500      0.4560000     -0.2218000    
 C    4.417600     -0.2726000     -4.7300000E-02
 C    3.437400      -1.247600     -0.2320000    
 C    4.055200       1.071000      4.9199998E-02
 C    2.094900     -0.8791000     -0.3203000    
 C    2.712900       1.439400     -3.9000001E-02
 C   0.3328000      0.8482000     -0.3157000    
 C   -1.979100     -5.4000001E-02  8.2400002E-02
 C   -2.613100       1.107500     -0.3587000    
 C   -2.737900      -1.139700      0.5194000    
 C   -4.764700      9.7499996E-02  7.4000001E-02
 C   -4.005800       1.183200     -0.3630000    
 C   -4.130700      -1.063900      0.5152000    
 C   -6.216800      0.1772000      7.0900001E-02
 C    6.470300     -0.6813000      -1.176600    
 C    3.823900      -3.310600      0.8861000    
 C    5.337800       2.368800       1.574500    
 H    1.365400      -1.661000     -0.5058000    
 H    2.440100       2.487900      4.2500000E-02
 H  -0.2261000      -1.000700      0.4672000    
 H   -2.096600       1.988400     -0.7127000    
 H   -2.257000      -2.049000      0.8713000    
 H   -4.481600       2.095200     -0.7145000    
 H   -4.682700      -1.920600      0.8905000    
 H    6.496500      0.3045000      -1.651300    
 H    6.037400      -1.416700      -1.862100    
 H    7.494700     -0.9833000     -0.9420000    
 H    4.117000      -4.336200      0.6460000    
 H    4.563800      -2.886700       1.572300    
 H    2.838100      -3.330300       1.361500    
 H    6.110800       3.141800       1.552100    
 H    4.462800       2.763700       2.100200    
 H    5.731800       1.495200       2.103400    
 H   -6.455800      -1.923200     -0.1832000    
 H   -8.607200      -1.659200      0.6514000    
 H   -8.572700      -1.455700     -0.9636000    


%chk=000155291-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155291

0 1
O 5.754554 -0.718809 0.101849
O 3.685096 -2.741784 0.003474
O 4.937660 2.055278 0.117427
O -0.087767 1.982628 -0.547169
O -7.140304 1.183321 -0.154453
N -0.760516 -0.153247 0.157949
N -7.208141 -1.135512 -0.181629
N -8.625424 -1.190484 -0.284702
C 1.635653 0.348629 -0.052715
C 4.390381 -0.354337 0.096193
C 3.391887 -1.370296 0.073045
C 3.984923 1.013823 0.104214
C 2.027033 -1.013155 -0.006699
C 2.625452 1.358824 0.009278
C 0.204248 0.804729 -0.177675
C -2.173232 -0.051938 0.082408
C -2.854312 1.113013 -0.369960
C -2.929055 -1.185658 0.493642
C -5.020647 -0.017650 -0.033690
C -4.259844 1.115421 -0.417899
C -4.332935 -1.168418 0.436321
C -6.515994 0.076172 -0.119332
C 6.486058 -0.338654 -1.136626
C 4.614744 -3.295226 1.015363
C 5.795870 2.111739 1.325330
H 1.317872 -1.843617 -0.096956
H 2.330062 2.410984 -0.023683
H -0.408042 -1.038593 0.527385
H -2.275092 1.988120 -0.667444
H -2.412560 -2.079432 0.867000
H -4.799782 2.007404 -0.751973
H -4.883615 -2.043810 0.799248
H 6.426436 0.751600 -1.299864
H 6.061953 -0.880506 -2.001177
H 7.527759 -0.649754 -0.966617
H 4.701468 -4.362972 0.764071
H 5.596290 -2.797803 0.962531
H 4.182870 -3.180870 2.028305
H 6.486120 2.950399 1.150028
H 5.176037 2.315067 2.218633
H 6.355323 1.168715 1.458878
H -6.729610 -2.021903 -0.341049
H -9.055133 -0.898656 0.605512
H -8.945043 -0.568584 -1.043472


