%chk=000129752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129752

0 1
 O    3.786400      -2.817800      0.4546000    
 O    5.785900       1.341400       2.482400    
 O    3.523300       1.403000       2.647300    
 O    4.471700       3.009800      -2.814900    
 O    6.081600       1.411500      -2.780500    
 N    3.215600     -0.6143000      0.8995000    
 N   -3.870500     -0.4994000      3.6400001E-02
 N   -2.613900       1.052200      -1.879600    
 N   -3.145400       2.970200     -0.6964000    
 N   -4.365500       2.849300       1.364600    
 N   -5.036200      0.7447000       2.202900    
 N   -3.683000       4.915900      0.5009000    
 C   -3.340600      -2.571200      -1.166400    
 C   -2.636900      -3.291500      1.5900001E-02
 C   -1.195400      -2.941800      0.1689000    
 C   -3.288100      -1.057300      -1.036300    
 C   -4.786600      -3.061300      -1.312600    
 C    4.559800     -0.1183000       1.052700    
 C    5.173600      0.3482000     -0.2730000    
 C  -0.8197000      -1.866400      0.9739000    
 C  -0.2224000      -3.691500     -0.4924000    
 C    1.501800      -2.290000      0.4563000    
 C   0.5289000      -1.540500       1.117600    
 C    1.126100      -3.365500     -0.3486000    
 C    2.938300      -1.943000      0.6088000    
 C   -2.667200     -0.2898000      -1.983100    
 C    4.464800       1.521700     -0.9612000    
 C   -3.816200      0.8425000      0.1383000    
 C    4.534100      0.9518000       2.124700    
 C   -3.185600       1.638100     -0.8208000    
 C   -4.384600       1.513800       1.203900    
 C    5.101300       1.935600      -2.270500    
 C   -3.735300       3.509900      0.3867000    
 H   -2.812900      -2.854700      -2.087900    
 H   -3.164300      -3.073600      0.9550000    
 H   -2.731400      -4.378000     -0.1166000    
 H   -5.278900      -2.577600      -2.163600    
 H   -5.377900      -2.841800     -0.4167000    
 H   -4.813900      -4.143500      -1.478200    
 H    5.168100     -0.9417000       1.448600    
 H    5.199800     -0.5001000     -0.9699000    
 H    6.221100      0.6292000     -0.1023000    
 H   -1.562200      -1.284500       1.512600    
 H  -0.5026000      -4.529600      -1.124900    
 H    2.466400      6.9300003E-02  0.9324000    
 H   0.7800000     -0.7174000       1.780000    
 H    1.868800      -3.958300     -0.8761000    
 H    3.424300       1.251300      -1.172600    
 H    4.474100       2.394200     -0.2987000    
 H   -2.187300     -0.7091000      -2.858900    
 H    5.768700       2.022700       3.188000    
 H   -5.456400       1.250700       2.972600    
 H   -5.433700     -0.1479000       1.937000    
 H    4.892100       3.292700      -3.654900    
 H   -4.112200       5.366200       1.297400    
 H   -3.216700       5.455700     -0.2149000    


%chk=000129752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129752

0 1
O 3.883149 -2.609115 -0.166894
O 6.318936 1.003496 2.463942
O 4.035375 1.326268 2.732538
O 4.867206 3.096660 -2.607160
O 6.284802 1.272635 -2.842274
N 3.430994 -0.620351 0.924814
N -4.078686 -0.502115 0.056286
N -2.945588 1.127249 -2.020241
N -3.657444 3.084554 -0.868440
N -4.861927 2.878081 1.287001
N -5.322206 0.759592 2.210206
N -4.386413 4.949826 0.328594
C -3.407963 -2.583764 -1.102458
C -2.687096 -3.198983 0.144093
C -1.215209 -2.831342 0.230309
C -3.464498 -1.065910 -1.015856
C -4.835241 -3.174584 -1.244911
C 4.854559 -0.292975 1.051643
C 5.502311 0.200113 -0.279533
C -0.773720 -1.747810 1.032771
C -0.242972 -3.553487 -0.511650
C 1.553510 -2.111332 0.336101
C 0.589312 -1.389532 1.087074
C 1.118972 -3.203174 -0.458335
C 3.028794 -1.811880 0.343388
C -2.903639 -0.221652 -2.034361
C 4.838414 1.470933 -0.836428
C -4.135802 0.865710 0.095703
C 4.987031 0.745201 2.159801
C -3.581408 1.714525 -0.931905
C -4.785985 1.532148 1.219604
C 5.425013 1.883669 -2.171992
C -4.290013 3.584091 0.231004
H -2.821964 -2.848990 -2.004877
H -3.227271 -2.855795 1.045773
H -2.798410 -4.298878 0.085355
H -5.346430 -2.774416 -2.138785
H -5.445452 -2.917922 -0.360436
H -4.794336 -4.275558 -1.335528
H 5.406433 -1.206080 1.349349
H 5.417233 -0.625932 -1.005094
H 6.578066 0.372463 -0.101979
H -1.505308 -1.185210 1.624104
H -0.558967 -4.405123 -1.127066
H 2.771113 0.017311 1.377070
H 0.879780 -0.558501 1.741157
H 1.877494 -3.763553 -1.014646
H 3.751071 1.317091 -0.979777
H 4.933840 2.332598 -0.147389
H -2.395126 -0.679504 -2.892011
H 6.374209 1.689885 3.182918
H -5.786263 1.198950 3.001601
H -5.254888 -0.253866 2.115977
H 5.255282 3.335906 -3.492497
H -4.851409 5.360615 1.133372
H -3.988166 5.521968 -0.411624


