%chk=000170048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170048

0 1
 O    7.140300      0.2098000      5.4400001E-02
 O    6.079300       2.131400      2.0600000E-02
 N   0.4932000     -0.5862000     -2.1600001E-02
 N   -3.435900       2.048500     -9.9200003E-02
 N    1.219900      -1.720100     -1.9999999E-04
 N   -1.615700      -1.691300     -3.6899999E-02
 N   0.6148000       1.790000     -4.5100000E-02
 N   -3.598300     -0.3178000     -7.5900003E-02
 N  -0.6416000       1.905000     -6.1799999E-02
 N   -3.751000      -2.660500     -5.2499998E-02
 N    6.081100      0.8787000      3.4499999E-02
 C  -0.8994000     -0.5508000     -3.9400000E-02
 C    1.225100      0.5743000     -2.4800001E-02
 C    2.526500      0.1430000     -3.1000001E-03
 C   -1.427000      0.7311000     -5.9200000E-02
 C   -4.853700       2.206100     -0.1189000    
 C   -2.807400      0.7789000     -7.7299997E-02
 C    2.498500      -1.302900      1.2100000E-02
 C    3.653600      0.9577000      3.0000000E-03
 C   -2.947600      -1.499500     -5.5599999E-02
 C    3.695400      -2.042300      3.6100000E-02
 C   -5.197700       3.588900     -0.6560000    
 C   -5.407700       2.002400       1.285200    
 C    4.834500      0.1902000      2.7000001E-02
 C    4.856600      -1.239400      4.2500000E-02
 C   -3.140300      -3.973900     -3.0300001E-02
 C   -5.195600      -2.551400     -5.7599999E-02
 H   -5.315100       1.475900     -0.7958000    
 H   -2.868800       2.825800      0.2255000    
 H    3.614300       2.038300     -9.3999999E-03
 H    3.734300      -3.123500      4.8200000E-02
 H   -4.778200       4.380400     -2.4599999E-02
 H   -6.282400       3.731500     -0.7018000    
 H   -4.796000       3.725800      -1.666200    
 H   -5.208900      0.9933000       1.660400    
 H   -4.963500       2.709700       1.995200    
 H   -6.492900       2.150500       1.297800    
 H    5.805200      -1.776600      6.0600001E-02
 H   -2.537000      -4.105800      0.8747000    
 H   -2.499100      -4.119200     -0.9068000    
 H   -3.887100      -4.774900     -4.0899999E-02
 H   -5.541700      -2.019900     -0.9509000    
 H   -5.547200      -2.015100      0.8307000    
 H   -5.682200      -3.532600     -5.6899998E-02


%chk=000170048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170048

0 1
O 7.340687 0.182752 0.062293
O 6.240103 2.182446 0.058344
N 0.478022 -0.659022 -0.020011
N -3.500592 1.992523 -0.055352
N 1.279500 -1.789468 -0.015764
N -1.648458 -1.772328 -0.048004
N 0.605703 1.821180 -0.008555
N -3.688932 -0.365030 -0.050705
N -0.751185 1.870940 -0.023093
N -3.791165 -2.708456 -0.078517
N 6.255759 0.889174 0.052788
C -0.923260 -0.641272 -0.035423
C 1.194385 0.580478 -0.007316
C 2.570751 0.196276 0.006717
C -1.467038 0.688382 -0.035790
C -4.959526 2.243371 -0.038879
C -2.929158 0.760801 -0.045728
C 2.561454 -1.254447 0.000978
C 3.779240 0.925203 0.023720
C -3.020960 -1.576784 -0.059995
C 3.787967 -1.982797 0.012357
C -5.243038 3.601629 -0.709617
C -5.511389 2.176020 1.405890
C 4.963578 0.172676 0.034603
C 4.982161 -1.262951 0.029109
C -3.132282 -4.032046 -0.082556
C -5.261810 -2.590587 -0.088947
H -5.423946 1.429469 -0.625843
H -2.838646 2.778846 -0.034168
H 3.807480 2.017423 0.028437
H 3.778156 -3.076016 0.007995
H -4.769433 4.429783 -0.148169
H -6.329793 3.792691 -0.731880
H -4.866769 3.622991 -1.747639
H -5.286184 1.195334 1.858564
H -5.064490 2.967274 2.035197
H -6.607888 2.314525 1.402292
H 5.952745 -1.765089 0.038539
H -2.514664 -4.166885 0.822169
H -2.460825 -4.133170 -0.952108
H -3.907604 -4.812782 -0.120727
H -5.606305 -2.033364 -0.977769
H -5.620265 -2.045138 0.801597
H -5.698481 -3.601056 -0.099234


