%chk=000178645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178645

0 1
 O   -5.848300      0.9345000      0.2362000    
 O   -5.510500       2.627900      -2.323000    
 O   -8.511500      9.3800001E-02  0.3639000    
 O  -0.8847000      -3.087700       2.421900    
 N   -3.864600     -0.3561000      0.3988000    
 N   -1.530000      0.3205000      0.3123000    
 N   -3.579200      -2.253700       1.563000    
 N   0.7125000      0.7530000      0.3572000    
 N  -2.0400001E-02  -1.189300       1.411600    
 N    4.284200      -2.254500      -1.229400    
 N    5.916000     -0.7925000     -0.8605000    
 N    5.434800       1.874000      0.2245000    
 N    2.790100       2.586500      0.8156000    
 N    6.466000      -2.953300      -1.758000    
 C   -4.544100      0.7109000     -0.3268000    
 C   -5.953300       1.288000      -2.118300    
 C   -4.748900      0.4289000      -1.808300    
 C   -6.774600       1.211800     -0.8355000    
 C   -7.808400      9.4800003E-02 -0.8661000    
 C   -2.541500     -0.4827000      0.6519000    
 C   -4.456400      -1.458500      0.9738000    
 C   -2.376600      -1.637600       1.359400    
 C  -0.2632000     -8.7399997E-02  0.7253000    
 C   -1.055700      -2.055200       1.785300    
 C    2.065100      0.4295000      7.0799999E-02
 C    3.669400      -1.137700     -0.7253000    
 C    4.706500     -0.2386000     -0.5029000    
 C    3.066100       1.369800      0.3135000    
 C    2.336100     -0.8428000     -0.4520000    
 C    4.398800       1.030700      2.3200000E-02
 C    5.625700      -1.999700      -1.290700    
 C    3.617400      -3.477600      -1.620100    
 C    5.122400       3.080800      0.7278000    
 C    3.824600       3.430000       1.017400    
 C    6.236200       4.039500      0.9638000    
 H   -3.968800       1.631600     -0.1739000    
 H   -6.502500      0.9748000      -3.010800    
 H   -4.991100     -0.6277000      -1.973700    
 H   -3.857000      0.6750000      -2.392700    
 H   -7.258800       2.165700     -0.5976000    
 H   -7.345000     -0.8897000     -0.9860000    
 H   -8.529300      0.2460000      -1.674900    
 H   -5.522800      -1.633300      0.9287000    
 H   -4.951500       2.631700      -3.118800    
 H   -1.646800       1.177100     -0.2190000    
 H   -7.860300     -3.9299998E-02   1.073800    
 H   0.4916000       1.737800      0.2413000    
 H    1.552100      -1.559800     -0.6652000    
 H    4.026800      -4.298400      -1.025300    
 H    2.543200      -3.406700      -1.443800    
 H    3.800200      -3.643500      -2.685100    
 H    3.561800       4.400200       1.422900    
 H    7.466300      -2.789900      -1.814200    
 H    6.154700      -3.866100      -2.074000    
 H    6.090700       4.946700      0.3689000    
 H    6.287200       4.311300       2.022900    
 H    7.198800       3.601000      0.6811000    


%chk=000178645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178645

0 1
O -4.184381 1.262040 -0.481949
O -6.338902 2.965555 -1.990444
O -4.320629 1.900973 2.287479
O -0.992055 -4.339935 -1.365223
N -4.149397 -0.873387 -1.532484
N -1.794970 -0.261106 -0.994661
N -3.860414 -3.132895 -1.783359
N 0.483558 0.067172 -0.542011
N -0.267373 -2.141234 -0.981454
N 4.750065 -2.551579 -0.003859
N 6.003626 -0.682156 0.490676
N 4.731012 2.129116 0.589142
N 1.927901 2.217447 0.021489
N 7.128524 -2.817489 0.446527
C -4.726534 0.466199 -1.617694
C -6.463143 1.964125 -0.921327
C -6.254674 0.527035 -1.460702
C -5.261166 2.184566 0.017792
C -5.538724 1.830121 1.487558
C -2.804431 -1.147583 -1.314952
C -4.747290 -2.133989 -1.819242
C -2.624140 -2.532057 -1.463589
C -0.506934 -0.842475 -0.844547
C -1.281988 -3.115451 -1.278781
C 1.851780 -0.178959 -0.293763
C 3.862295 -1.458584 -0.045126
C 4.664868 -0.315235 0.265180
C 2.610648 1.014536 0.011698
C 2.477404 -1.432176 -0.326243
C 4.035336 0.967298 0.298621
C 6.011032 -2.020605 0.320488
C 4.433597 -3.959091 -0.252482
C 4.041469 3.294363 0.594887
C 2.630542 3.329201 0.306805
C 4.795818 4.564744 0.915639
H -4.396353 0.962422 -2.551554
H -7.430537 2.068308 -0.390612
H -6.588243 -0.214722 -0.712645
H -6.791803 0.354086 -2.407805
H -4.877752 3.214273 -0.076036
H -6.006422 0.823529 1.557352
H -6.221650 2.574997 1.931060
H -5.805175 -2.232682 -2.048170
H -7.119756 2.906595 -2.597156
H -2.017871 0.708733 -0.748669
H -3.659611 1.275961 1.891864
H 0.279169 1.078337 -0.472747
H 1.872930 -2.310748 -0.565950
H 4.675862 -4.583060 0.628210
H 3.356266 -4.061824 -0.451379
H 4.979783 -4.342324 -1.134906
H 2.084810 4.279115 0.313803
H 8.002897 -2.358369 0.683993
H 7.106904 -3.820698 0.298292
H 4.723165 5.297508 0.090037
H 4.394119 5.052911 1.823649
H 5.856438 4.323646 1.084180


