%chk=000048864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048864

0 1
 O   -3.197000     -0.7557000       1.099300    
 O   -2.218000     -0.4065000      -1.041600    
 O   0.1380000      -3.117700       2.188300    
 O   -3.741400       1.724800     -6.7699999E-02
 N    3.319200      -1.212400      -1.825900    
 N    3.431000       2.313100       1.279700    
 N  -0.2588000     -0.5858000       1.147800    
 N    3.401200      0.5578000     -0.2825000    
 N    1.571500      0.8769000       1.236700    
 N    1.514700     -0.9234000     -0.3486000    
 C   -1.003400      -1.720900      0.6221000    
 C   -2.324300      -1.847400       1.396000    
 C   -1.289300      -1.478200     -0.8674000    
 C    3.996300     -0.5100000      -2.923700    
 C    4.780800      -1.298900      -1.939700    
 C    4.874500       2.275400       1.547500    
 C    4.333400       3.139500      0.4675000    
 C  -0.1463000      -2.973900      0.8101000    
 C    2.715100     -0.4902000     -0.7661000    
 C    2.768400       1.193500      0.7168000    
 C   -3.419400     -0.6445000     -0.3069000    
 C   0.9748000     -0.2009000      0.6661000    
 C   -4.262900      0.5484000     -0.4983000    
 C   -5.510800      0.7359000      -1.038500    
 C   -5.777000       2.121900     -0.9339000    
 C   -4.670400       2.679300     -0.3368000    
 H   -2.160500      -1.843800       2.479400    
 H   -2.843500      -2.781200       1.146800    
 H   -1.736800      -2.378700      -1.310200    
 H  -0.4236000      -1.253100      -1.489800    
 H    3.787500     -0.9469000      -3.889100    
 H    3.997000      0.5680000      -2.859700    
 H    5.352400     -0.7834000      -1.182700    
 H    5.118700      -2.285900      -2.220800    
 H    5.134900       2.729400       2.492200    
 H    5.374900       1.354100       1.288300    
 H    4.459900       2.841700     -0.5625000    
 H    4.217200       4.196100      0.6608000    
 H  -0.6557000     -3.3199999E-02   1.898900    
 H  -0.7121000      -3.861200      0.5021000    
 H   0.7896000      -3.012800      0.2513000    
 H   -3.926200      -1.541900     -0.6846000    
 H   0.6659000      -2.349500       2.464100    
 H   -6.152100     -2.6900001E-02  -1.456400    
 H   -6.664300       2.648800      -1.253700    
 H   -4.402800       3.685800     -5.0000001E-02


%chk=000048864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048864

0 1
O -2.847950 -0.646451 1.184056
O -2.059396 -0.403936 -1.100851
O 0.330316 -3.442752 2.036711
O -3.410780 1.984554 -0.028274
N 3.815873 -1.279362 -1.752734
N 3.339541 2.576588 0.896556
N 0.012444 -0.711700 0.990333
N 3.626723 0.665857 -0.444885
N 1.682937 0.910404 1.015413
N 1.850011 -1.011067 -0.486139
C -0.789111 -1.848785 0.485171
C -2.076178 -1.894990 1.346132
C -1.231241 -1.622730 -0.986834
C 3.382980 -1.851162 -3.044089
C 4.522204 -0.816173 -2.962216
C 3.445096 3.086557 2.276383
C 4.691598 2.910185 1.385875
C -0.023538 -3.190537 0.635598
C 3.064452 -0.502985 -0.879089
C 2.873549 1.333743 0.493168
C -3.236713 -0.478501 -0.230403
C 1.212010 -0.266331 0.476657
C -4.029833 0.768402 -0.373009
C -5.326133 1.008144 -0.798294
C -5.540718 2.437595 -0.722819
C -4.361172 2.990801 -0.252761
H -1.842069 -1.972267 2.418066
H -2.691064 -2.769092 1.041983
H -1.804480 -2.507321 -1.345457
H -0.361157 -1.450705 -1.636407
H 3.617256 -2.907917 -3.205578
H 2.419082 -1.516485 -3.446794
H 4.315373 0.205040 -3.302556
H 5.561306 -1.143705 -3.064407
H 3.038297 4.087360 2.450701
H 3.287670 2.368568 3.089981
H 5.366739 2.074556 1.604667
H 5.163044 3.787004 0.931499
H -0.500491 -0.001111 1.523627
H -0.680818 -4.031053 0.352470
H 0.872149 -3.178201 -0.011375
H -3.852535 -1.361657 -0.526583
H 0.919066 -2.701224 2.332688
H -6.042996 0.257922 -1.126885
H -6.448386 2.978058 -0.982507
H -4.032657 4.002366 -0.032088


