%chk=000103805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103805

0 1
 O    3.468500      -2.975500      0.4015000    
 O    3.633400       2.361600      0.5445000    
 O    5.227400      -2.417500     -0.9885000    
 O    5.508300       2.634100     -0.7774000    
 O   -6.830100     -0.7852000     -0.1695000    
 O   -6.344200      0.7888000       1.438200    
 N    1.914600      0.2846000     -0.2734000    
 N   -4.028900      -1.859800      -1.788200    
 C    2.737100     -0.6877000      0.4190000    
 C    2.534100       1.177400      -1.232800    
 C   0.5279000      0.3520000     -2.6900001E-02
 C  -0.2551000       1.291400     -0.6977000    
 C    2.630500      -2.040000     -0.2652000    
 C    2.794500       2.529800     -0.5914000    
 C   -1.626800       1.358300     -0.4533000    
 C  -6.0800001E-02 -0.5206000      0.8883000    
 C   -2.201700      0.4852000      0.4593000    
 C   -1.432500     -0.4538000       1.132700    
 C   -2.434500       2.377800      -1.189900    
 C   -3.645000      0.5313000      0.7402000    
 C   -4.590400     -0.1834000      0.1017000    
 C    4.750900      -3.063300     -6.4800002E-02
 C    4.977900       2.437600      0.3076000    
 C    5.512800      -4.081600      0.7280000    
 C    5.732600       2.243500       1.587800    
 C   -6.000300      1.7400000E-02  0.5537000    
 C   -4.279300      -1.107400     -0.9408000    
 C   -8.221000     -0.6951000      0.1577000    
 H    2.522100     -0.7493000       1.492700    
 H    3.788700     -0.3734000      0.3965000    
 H    1.957300       1.268500      -2.159900    
 H    3.493600      0.7485000      -1.550700    
 H   0.1567000       1.987400      -1.420000    
 H    2.875000      -1.971900      -1.333000    
 H    1.613300      -2.440200     -0.2193000    
 H    1.874800       3.003300     -0.2356000    
 H    3.234000       3.224000      -1.317800    
 H   0.4909000      -1.269500       1.445400    
 H   -1.877600      -1.138800       1.850000    
 H   -3.130600       1.889800      -1.879700    
 H   -2.996100       3.007000     -0.4911000    
 H   -1.804300       3.049300      -1.783300    
 H   -3.906000       1.224100       1.537500    
 H    6.536300      -4.145800      0.3477000    
 H    5.549600      -3.781200       1.778100    
 H    5.040400      -5.061500      0.6236000    
 H    6.806400       2.301900       1.388400    
 H    5.466300       3.030400       2.297700    
 H    5.508800       1.257600       2.003100    
 H   -8.586800      0.3206000     -2.0900000E-02
 H   -8.768000      -1.384400     -0.4910000    
 H   -8.384500     -0.9881000       1.199100    


%chk=000103805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103805

0 1
O 3.709960 -2.867198 -0.000769
O 4.163696 2.109529 0.867587
O 5.627585 -1.541154 0.034389
O 5.589773 2.734266 -0.872510
O -7.191047 -1.143064 0.533546
O -6.752148 1.015215 -0.239997
N 1.779832 0.401921 -0.280511
N -4.371140 -2.950955 1.092564
C 2.578847 -0.672141 0.342361
C 2.537600 1.496710 -0.917053
C 0.383289 0.401299 -0.229128
C -0.382678 1.554245 -0.601595
C 2.965043 -1.768582 -0.677476
C 3.018969 2.600098 0.049045
C -1.786988 1.572872 -0.567622
C -0.345585 -0.757244 0.198830
C -2.512033 0.398301 -0.137953
C -1.739874 -0.747525 0.240159
C -2.503841 2.850480 -0.976641
C -3.957672 0.434109 -0.110829
C -4.908576 -0.517854 0.250089
C 5.057212 -2.627058 0.293944
C 5.433461 2.206159 0.250758
C 5.680501 -3.839420 0.944891
C 6.494134 1.563580 1.106890
C -6.338644 -0.109439 0.145070
C -4.619991 -1.842848 0.709128
C -8.638182 -0.838644 0.468292
H 2.022980 -1.121475 1.181654
H 3.495550 -0.224377 0.758232
H 1.923775 1.954145 -1.711792
H 3.426138 1.074327 -1.420731
H 0.127974 2.473416 -0.903367
H 3.594188 -1.350560 -1.483956
H 2.079813 -2.266142 -1.102472
H 2.246104 2.870042 0.784993
H 3.345010 3.486202 -0.524804
H 0.178159 -1.675259 0.478431
H -2.250551 -1.657602 0.563971
H -3.169259 2.687881 -1.844700
H -3.129804 3.252212 -0.158636
H -1.779059 3.632728 -1.256669
H -4.425599 1.375091 -0.429539
H 6.741219 -3.644504 1.156998
H 5.150260 -4.082009 1.882137
H 5.586845 -4.716804 0.282178
H 7.472450 2.018835 0.890545
H 6.252147 1.655656 2.176957
H 6.542641 0.487721 0.851368
H -8.931543 -0.593860 -0.566607
H -9.130936 -1.757823 0.813921
H -8.879802 0.014701 1.124331


