%chk=000169138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169138

0 1
 O   -5.728100     -0.1648000     -1.7000000E-03
 O   -4.608900       1.723700     -6.9999998E-04
 O    5.502700       1.102900      1.9999999E-04
 N    3.898400     -0.6239000     -1.9999999E-04
 N   -4.650600      0.4726000     -1.0000000E-03
 C   0.2711000      0.2369000      3.9999999E-04
 C  -0.9971000     -0.3953000      3.0000001E-04
 C    1.450200     -0.5442000      6.0000003E-04
 C   -2.176200      0.3860000      3.0000001E-04
 C   0.3574000       1.648700      5.0000002E-04
 C   -1.083100      -1.807000      3.0000001E-04
 C    2.697900      9.6500002E-02  6.9999998E-04
 C    1.345400      -1.941600      1.1000000E-03
 C   -2.071200       1.783300      3.0000001E-04
 C   9.5799997E-02  -2.564500      5.0000002E-04
 C  -0.8216000       2.406100      6.0000003E-04
 C   -3.423700     -0.2545000       0.000000    
 C    1.620100       2.259200      3.0000001E-04
 C   -2.345700      -2.417600      5.0000002E-04
 C    2.781100       1.487800      5.0000002E-04
 C   -3.506600      -1.645900      9.9999997E-05
 C    5.173400     -7.8500003E-02 -1.4000000E-03
 C    6.219200      -1.166000     -2.2000000E-03
 H    2.207700      -2.600600      1.6000000E-03
 H   5.3399999E-02  -3.651900      6.9999998E-04
 H   -2.843200       2.531900      3.9999999E-04
 H  -0.7751000       3.493800      6.0000003E-04
 H    1.708500       3.343800      9.9999997E-05
 H   -2.435900      -3.501900      6.0000003E-04
 H    3.685300       2.074000      3.0000001E-04
 H   -4.455900      -2.176000     -9.9999997E-05
 H    3.844000      -1.636100     -6.9999998E-04
 H    6.116100      -1.781800      0.8958000    
 H    7.217400     -0.7192000     -1.1500000E-02
 H    6.104600      -1.792400     -0.8914000    


%chk=000169138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169138

0 1
O -5.862407 -0.376331 -0.000774
O -4.900318 1.678714 0.000281
O 5.655778 1.054101 -0.001315
N 3.954368 -0.578648 -0.001238
N -4.811050 0.385207 0.000811
C 0.279016 0.297165 0.000007
C -1.014451 -0.344469 0.000127
C 1.495114 -0.485819 -0.000393
C -2.236082 0.450548 0.000491
C 0.356241 1.734230 0.000279
C -1.080932 -1.785578 -0.000120
C 2.767534 0.195082 -0.000613
C 1.375870 -1.924369 -0.000540
C -2.108491 1.891866 0.000770
C 0.140185 -2.547116 -0.000418
C -0.861481 2.495477 0.000665
C -3.482063 -0.271233 0.000531
C 1.631417 2.360434 0.000158
C -2.346565 -2.435456 -0.000037
C 2.818498 1.615287 -0.000288
C -3.525837 -1.689007 0.000246
C 5.296785 -0.156101 -0.001411
C 6.292579 -1.316157 -0.000426
H 2.263424 -2.568337 -0.000684
H 0.072853 -3.640555 -0.000521
H -3.013951 2.495186 0.001086
H -0.792048 3.589444 0.000888
H 1.686354 3.454924 0.000388
H -2.390224 -3.529623 -0.000207
H 3.792327 2.106441 -0.000457
H -4.505278 -2.171956 0.000279
H 3.829897 -1.591835 -0.001539
H 6.176023 -1.945636 0.901430
H 7.310713 -0.902341 -0.010830
H 6.163002 -1.960038 -0.890226


