%chk=000064529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064529

0 1
 O   -1.658700      -1.757500       1.029300    
 N    2.207700       1.393400      0.3515000    
 N  -0.7897000     -0.3229000     -0.5504000    
 C    3.505800     -0.6701000     -0.1049000    
 C    1.178700     -0.8482000      0.8546000    
 C    1.482100     -0.1336000      -1.513500    
 C   0.5389000     -0.9298000     -0.5634000    
 C    3.590300      0.8214000      0.3560000    
 C    2.591100      -1.472600      0.8494000    
 C    2.895000     -0.7568000      -1.522900    
 C    1.316000      0.6401000       1.270300    
 C    1.607500       1.326800      -1.005800    
 C   0.3234000      -2.380900      -1.028900    
 C    4.536600       1.646600     -0.5589000    
 C    4.239400      0.9463000       1.761900    
 C   -1.796400     -0.8027000      0.2655000    
 C   -3.083900     -0.1055000      0.1379000    
 C   -4.258400     -0.7833000      0.4308000    
 C   -3.104400       1.219400     -0.2729000    
 C   -5.480300     -0.1217000      0.3099000    
 C   -4.326500       1.881000     -0.3935000    
 C   -5.514400       1.210400     -0.1021000    
 H    4.506000      -1.119600     -0.1126000    
 H   0.5833000      -1.372200       1.607600    
 H    1.075100     -0.1274000      -2.532200    
 H    2.553000      -2.523000      0.5404000    
 H    3.000000      -1.487500       1.864900    
 H    3.525400     -0.2363000      -2.251400    
 H    2.876100      -1.796100      -1.864200    
 H   0.3333000       1.128000       1.294800    
 H    1.669600      0.7133000       2.304000    
 H    2.185500       1.925400      -1.717600    
 H   0.6283000       1.821100     -0.9860000    
 H  -0.2103000      -2.994400     -0.2979000    
 H  -0.2532000      -2.407100      -1.962000    
 H    1.255500      -2.915100      -1.224700    
 H    5.558700       1.251400     -0.5120000    
 H    4.257800       1.649700      -1.614400    
 H    4.573900       2.694400     -0.2364000    
 H    5.270200      0.5719000       1.744800    
 H    4.275300       1.994700       2.082600    
 H    3.725000      0.3913000       2.548800    
 H  -0.9937000      0.3649000      -1.267400    
 H   -4.250500      -1.822000      0.7491000    
 H   -2.203500       1.790900     -0.4740000    
 H   -6.405500     -0.6437000      0.5363000    
 H   -4.353200       2.920800     -0.7061000    
 H   -6.465800       1.726100     -0.1943000    


%chk=000064529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064529

0 1
O -1.732279 -1.795296 1.085065
N 2.146545 1.351474 0.376323
N -0.775504 -0.468843 -0.586763
C 3.568552 -0.651335 -0.119702
C 1.233810 -0.971499 0.850922
C 1.493458 -0.196730 -1.524149
C 0.596275 -1.073144 -0.582261
C 3.584346 0.845728 0.373704
C 2.690174 -1.517709 0.828242
C 2.950786 -0.742083 -1.546515
C 1.282817 0.524827 1.287183
C 1.546416 1.274004 -0.992459
C 0.451717 -2.533207 -1.084515
C 4.457159 1.751043 -0.534452
C 4.187398 0.984484 1.795625
C -1.818808 -0.843267 0.240800
C -3.094970 -0.044304 0.094312
C -4.303783 -0.654322 0.515710
C -3.125366 1.291212 -0.387608
C -5.525032 0.045966 0.432739
C -4.347969 1.995006 -0.464880
C -5.551687 1.372185 -0.061472
H 4.606028 -1.043098 -0.137672
H 0.614619 -1.550456 1.558556
H 1.072517 -0.213333 -2.553287
H 2.713934 -2.573009 0.497117
H 3.094109 -1.515418 1.857724
H 3.544658 -0.161696 -2.277274
H 2.972910 -1.791148 -1.896534
H 0.269691 0.965858 1.277133
H 1.655536 0.607147 2.321345
H 2.124708 1.904030 -1.689214
H 0.535219 1.719983 -0.930690
H -0.250716 -3.077517 -0.431107
H 0.051996 -2.539553 -2.115882
H 1.409639 -3.076623 -1.087586
H 5.516007 1.442566 -0.459696
H 4.183291 1.720257 -1.601364
H 4.374136 2.798503 -0.193687
H 5.256964 0.705614 1.775168
H 4.106729 2.035623 2.125183
H 3.698998 0.354640 2.555677
H -0.983772 0.192759 -1.337355
H -4.254998 -1.672021 0.916609
H -2.197567 1.808700 -0.662108
H -6.453894 -0.436131 0.756891
H -4.359537 3.029920 -0.824426
H -6.499160 1.919512 -0.119371


