%chk=000118778.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118778

0 1
 O   -1.366500       2.328600       1.096900    
 O   -1.382800      -2.294400       1.118600    
 O    3.903800       2.669200     -0.2578000    
 O    3.889800      -2.676800     -0.2334000    
 N   -1.773400      1.8200001E-02   1.215400    
 N    1.391600       2.835400      0.3869000    
 N    1.376800      -2.824000      0.4129000    
 C   -3.175800      2.3499999E-02   1.582400    
 C   -4.097800      2.0500001E-02  0.3665000    
 C   -5.579900      2.3000001E-03  0.7538000    
 C   0.3160000      0.7024000      0.6732000    
 C   0.3125000     -0.6829000      0.6796000    
 C   -6.523800     -6.0500000E-02 -0.4517000    
 C   -1.029800       1.161800       1.016400    
 C   -1.035400      -1.131400       1.026500    
 C    2.617000      0.7067000      8.1200004E-02
 C    2.613500     -0.7046000      8.8000000E-02
 C    1.451000       1.429500      0.3780000    
 C    1.443800      -1.418600      0.3915000    
 C   -8.021100      2.7999999E-03 -0.1347000    
 C   -8.909000      6.0000003E-04  -1.380500    
 C    3.855800       1.445500     -0.2408000    
 C    3.848700      -1.452700     -0.2261000    
 C    5.085400      0.6897000     -0.5530000    
 C    5.082000     -0.7062000     -0.5458000    
 C   -10.39090     -2.8100001E-02  -1.004200    
 C    6.263000       1.383300     -0.8581000    
 C    6.256400      -1.408500     -0.8434000    
 C   -11.27930      2.7999999E-03  -2.237500    
 C    7.430800      0.6796000      -1.154100    
 C    7.427500     -0.7136000      -1.146700    
 H   -3.374200     -0.8616000       2.197600    
 H   -3.371200      0.9144000       2.190100    
 H   -3.892600      0.9024000     -0.2531000    
 H   -3.874800     -0.8544000     -0.2571000    
 H   -5.777100     -0.8595000       1.403000    
 H   -5.807700      0.9002000       1.341100    
 H   -6.319900     -0.9828000      -1.010400    
 H   -6.278400      0.7691000      -1.127300    
 H   -8.225100      0.9070000      0.4519000    
 H   -8.281400     -0.8520000      0.5017000    
 H   -8.671500     -0.8733000      -1.999100    
 H   -8.694600      0.8913000      -1.983200    
 H   -10.61080     -0.9319000     -0.4240000    
 H   -10.63030      0.8322000     -0.3683000    
 H    2.208100       3.390700      0.1751000    
 H   0.5242000       3.305700      0.6086000    
 H    2.190700      -3.385600      0.2077000    
 H   0.5073000      -3.287700      0.6399000    
 H    6.294900       2.469400     -0.8713000    
 H    6.283200      -2.494900     -0.8451000    
 H   -12.33390     -1.9300001E-02  -1.945700    
 H   -11.10760      0.9121000      -2.822200    
 H   -11.08670     -0.8614000      -2.881200    
 H    8.343600       1.218700      -1.390600    
 H    8.337700      -1.259500      -1.377500    


%chk=000118778-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118778

0 1
O -1.437149 2.369105 1.213366
O -1.437022 -2.354907 1.250244
O 3.942543 2.758076 -0.268807
O 3.942462 -2.766790 -0.225386
N -1.801451 0.007877 1.332932
N 1.428882 2.836567 0.431371
N 1.429326 -2.834349 0.476459
C -3.234694 0.010369 1.668985
C -4.135713 0.002989 0.413051
C -5.637323 0.004921 0.774992
C 0.335836 0.701681 0.746777
C 0.335899 -0.694875 0.757751
C -6.545953 -0.000858 -0.475051
C -1.023307 1.177270 1.110117
C -1.023210 -1.164822 1.128475
C 2.689274 0.720485 0.095743
C 2.689333 -0.723710 0.107124
C 1.488803 1.471943 0.424207
C 1.488957 -1.470002 0.447419
C -8.054455 -0.001325 -0.139298
C -8.953797 -0.005041 -1.396010
C 3.915545 1.465611 -0.253260
C 3.915440 -1.474242 -0.230622
C 5.142827 0.704491 -0.596390
C 5.142863 -0.718607 -0.585190
C -10.465223 -0.008878 -1.071160
C 6.327041 1.405895 -0.938783
C 6.327119 -1.425252 -0.916469
C -11.351278 -0.010595 -2.335866
C 7.498238 0.697800 -1.266917
C 7.498283 -0.722345 -1.255709
H -3.430813 -0.884819 2.286322
H -3.430461 0.913021 2.275492
H -3.900657 0.891245 -0.205070
H -3.900552 -0.892398 -0.194666
H -5.869875 -0.881514 1.401091
H -5.869613 0.897334 1.392654
H -6.308902 -0.891010 -1.094144
H -6.310803 0.885081 -1.100872
H -8.293805 0.888260 0.480180
H -8.292299 -0.888361 0.484403
H -8.712213 -0.892965 -2.017183
H -8.716992 0.882907 -2.018955
H -10.702379 -0.897111 -0.450556
H -10.706832 0.877686 -0.449881
H 2.293656 3.341047 0.184841
H 0.542448 3.287571 0.673589
H 2.294534 -3.342516 0.239226
H 0.542930 -3.281625 0.725623
H 6.297130 2.499527 -0.938594
H 6.297256 -2.518747 -0.899175
H -12.426536 -0.014211 -2.078751
H -11.154947 0.883425 -2.957437
H -11.149347 -0.902321 -2.958960
H 8.411354 1.241712 -1.531233
H 8.411425 -1.270304 -1.511440


