%chk=000072014.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072014

0 1
 O    3.712300       2.758500       2.392400    
 O    3.760900      0.4047000      0.9130000    
 O   -2.021000     -0.3502000      -1.834600    
 O   -6.499500      -1.944000       2.615800    
 N    1.236700       2.518200     -0.3506000    
 N   -2.148700       1.968000      -1.782800    
 N   0.9915000      -1.684700     -1.8100001E-02
 C    3.282000       2.754800       1.028200    
 C    1.762500       2.572600       1.006700    
 C  -0.2016000       2.288100     -0.3432000    
 C  -0.7340000       2.222600      -1.767200    
 C    4.033700       1.653200      0.2843000    
 C   -4.199800      0.7070000      -1.820300    
 C   -2.683500      0.6840000      -1.815600    
 C   -4.811100      6.0000003E-04 -0.6393000    
 C    4.347300     -0.7030000      0.3616000    
 C   -5.109500      -1.359800     -0.7174000    
 C   -5.080100      0.7076000      0.5327000    
 C    3.579500      -1.760200     -0.1270000    
 C    5.739400     -0.7625000      0.2940000    
 C   -5.677000      -2.013200      0.3764000    
 C   -5.647600      5.4099999E-02   1.626600    
 C   -5.946100      -1.306300       1.548400    
 C    4.203800      -2.876600     -0.6834000    
 C    6.363600      -1.879000     -0.2626000    
 C    5.595900      -2.935900     -0.7511000    
 C    2.150400      -1.718600     -6.6799998E-02
 H    3.540000       3.729100      0.5964000    
 H    1.302600       3.400000       1.562900    
 H    1.501400       1.659200       1.556900    
 H  -0.7167000       3.089300      0.2018000    
 H  -0.4289000       1.346100      0.1713000    
 H    1.448600       3.388000     -0.8383000    
 H  -0.5714000       3.173700      -2.286500    
 H  -0.2235000       1.435600      -2.334500    
 H    3.745500       1.615200     -0.7726000    
 H    5.106400       1.870300      0.3442000    
 H   -2.769100       2.771500      -1.754300    
 H   -4.529600      0.2321000      -2.753400    
 H   -4.584900       1.732900      -1.868600    
 H    4.673200       2.907500       2.395900    
 H   -4.903100      -1.921800      -1.624400    
 H   -4.850100       1.767300      0.6057000    
 H    6.357600      3.9700001E-02  0.6868000    
 H   -5.906800      -3.073100      0.3098000    
 H   -5.851800      0.6160000       2.534100    
 H    3.620000      -3.709400      -1.068600    
 H    7.447500      -1.927500     -0.3111000    
 H    6.082100      -3.805700      -1.183200    
 H   -6.616400      -1.304400       3.339100    


%chk=000072014-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072014

0 1
O 3.990111 2.587400 2.218907
O 2.496217 0.484710 0.941844
O -1.303598 0.774931 -3.277161
O -2.080805 -2.761251 2.259276
N 1.263982 3.590832 -0.231847
N -1.962227 2.551630 -1.915573
N 0.086043 -0.766256 3.313980
C 3.341900 2.742234 0.907873
C 1.928561 3.359910 1.072484
C -0.090377 3.021175 -0.370106
C -0.631085 3.168119 -1.812302
C 3.327040 1.419185 0.138958
C -3.506080 0.641416 -2.173257
C -2.170542 1.324730 -2.536189
C -3.266513 -0.278881 -0.977659
C 2.316115 -0.812793 0.469715
C -2.954089 -1.649623 -1.165321
C -3.232268 0.241436 0.341132
C 1.416424 -1.633040 1.218071
C 2.950957 -1.339048 -0.680291
C -2.588001 -2.470731 -0.079065
C -2.858538 -0.561874 1.437874
C -2.512238 -1.917505 1.219406
C 1.165980 -2.968945 0.800925
C 2.696915 -2.670659 -1.073060
C 1.809028 -3.489875 -0.338091
C 0.725937 -1.120964 2.366430
H 3.992197 3.445065 0.356854
H 2.042527 4.289554 1.665547
H 1.315466 2.665021 1.677159
H -0.829247 3.478879 0.338218
H -0.043185 1.944264 -0.125685
H 1.313012 4.570045 -0.536496
H -0.678670 4.236580 -2.103984
H 0.028815 2.644228 -2.523199
H 2.869387 1.560062 -0.857933
H 4.353866 1.015544 0.055564
H -2.705223 2.922898 -1.320510
H -3.833406 0.064407 -3.053366
H -4.282659 1.395920 -1.944192
H 3.510394 1.870603 2.710541
H -2.967531 -2.070583 -2.176770
H -3.491897 1.292635 0.521750
H 3.629209 -0.720898 -1.273369
H -2.332637 -3.524927 -0.223865
H -2.811119 -0.137822 2.447706
H 0.449260 -3.569148 1.370618
H 3.191982 -3.065432 -1.966726
H 1.610748 -4.517199 -0.657178
H -1.817538 -2.224357 3.051862


