%chk=000122668.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122668

0 1
 O   0.2077000       3.450900      -1.804600    
 O   -1.884600       3.125300      -1.225700    
 N   -2.603000       1.234700      0.2222000    
 N  -0.6748000       2.799500      -1.198600    
 N    4.693900      -1.452300     -0.6170000    
 N    5.038800     -8.6700000E-02   1.338300    
 N    3.248200       1.135600       2.282500    
 N    6.807200      -1.304000      0.3916000    
 C   -1.232800      0.8885000      0.2371000    
 C   -3.480300      0.7027000     -0.7994000    
 C   -3.145800       2.113800       1.236600    
 C    1.460100      0.1623000      0.2969000    
 C  -0.2898000       1.649200     -0.4540000    
 C  -0.8294000     -0.2353000      0.9583000    
 C    2.856500     -0.2158000      0.3283000    
 C    1.056600       1.286200     -0.4241000    
 C   -3.924600     -0.6881000     -0.4407000    
 C   0.5170000     -0.5985000      0.9880000    
 C    3.399000      -1.073300     -0.6078000    
 C   -3.428100       1.334200       2.506600    
 C    2.558100      -1.650200      -1.700700    
 C    3.733400      0.2503000       1.287500    
 C   -3.172400      -1.777700     -0.8605000    
 C   -5.082100     -0.8669000      0.3057000    
 C    2.550100     -0.7721000      -2.947700    
 C   -3.584900      -3.068200     -0.5281000    
 C   -5.494500      -2.157200      0.6382000    
 C    5.446200     -0.9291000      0.3698000    
 C   -4.745900      -3.257800      0.2213000    
 H   -2.981700      0.6881000      -1.778100    
 H   -4.359200       1.344800     -0.9427000    
 H   -2.450500       2.932400       1.459200    
 H   -4.073700       2.583900      0.8901000    
 H   -1.545900     -0.8379000       1.509800    
 H    1.811200       1.869100     -0.9486000    
 H   0.8148000      -1.476700       1.556000    
 H   -4.093300      0.4853000       2.351400    
 H   -2.506100      0.9589000       2.961400    
 H   -3.902700       1.991700       3.243000    
 H    2.969700      -2.630500      -1.975500    
 H    1.533600      -1.857900      -1.375500    
 H   -2.270500      -1.644600      -1.451400    
 H   -5.680800     -1.8600000E-02  0.6253000    
 H    2.117500      0.2131000      -2.760600    
 H    1.962600      -1.250500      -3.738000    
 H    3.566300     -0.6219000      -3.328500    
 H   -3.002900      -3.925200     -0.8542000    
 H   -6.400000      -2.305100       1.219200    
 H   -5.067600      -4.262600      0.4794000    
 H    2.556600      0.7212000       2.901000    
 H    2.934900       2.031600       1.919500    
 H    7.160200      -1.935000     -0.3145000    
 H    7.412200     -0.9375000       1.113500    


%chk=000122668-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122668

0 1
O -0.318342 2.667003 -2.414558
O -1.838718 3.153172 -0.782276
N -2.432259 0.641472 0.689550
N -0.866950 2.430054 -1.261770
N 5.292434 -1.172631 -0.109515
N 5.579611 1.239334 0.181628
N 3.765377 2.654139 0.519129
N 7.412870 -0.180369 -0.126609
C -1.042580 0.717449 0.629365
C -3.286154 0.851490 -0.508273
C -3.115932 0.485897 2.002357
C 1.851955 0.436367 0.362023
C -0.295854 1.371901 -0.417393
C -0.242390 0.057684 1.624624
C 3.325546 0.248050 0.215812
C 1.101564 1.167577 -0.577742
C -4.449950 -0.128490 -0.612619
C 1.144075 -0.069603 1.498313
C 3.934075 -1.018578 0.003343
C -3.437568 -0.961968 2.443295
C 3.132790 -2.291555 -0.203466
C 4.224533 1.372629 0.298499
C -4.229688 -1.474756 -1.003315
C -5.776064 0.303066 -0.365959
C 2.906144 -2.560907 -1.715672
C -5.310995 -2.373119 -1.130943
C -6.862914 -0.593545 -0.490748
C 6.047888 -0.031563 -0.014905
C -6.632268 -1.935064 -0.871286
H -2.642516 0.728920 -1.397345
H -3.654961 1.896163 -0.530504
H -2.494476 0.984594 2.768504
H -4.060068 1.058737 1.944125
H -0.735535 -0.405136 2.482770
H 1.584799 1.634979 -1.441271
H 1.707238 -0.590752 2.280920
H -4.164392 -1.435601 1.765491
H -2.534694 -1.596351 2.469492
H -3.874008 -0.944065 3.459574
H 3.706145 -3.129003 0.232036
H 2.156720 -2.235128 0.308264
H -3.207258 -1.816826 -1.206145
H -5.960178 1.347964 -0.086139
H 2.310943 -1.751905 -2.177223
H 2.367887 -3.514390 -1.866184
H 3.875397 -2.620194 -2.240706
H -5.127708 -3.408948 -1.437627
H -7.883768 -0.244970 -0.298910
H -7.472466 -2.630886 -0.973349
H 2.773637 2.850080 0.621340
H 4.450690 3.404395 0.568576
H 7.792845 -1.109576 -0.281920
H 8.009990 0.638863 -0.063457


