%chk=000057782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057782

0 1
 O   -6.114700      -1.100200      0.6117000    
 O   0.5991000      -2.016800      0.7287000    
 O   0.3012000       2.661500      0.5337000    
 N   0.4048000      0.3244000      0.6472000    
 N    2.304700       1.662500     -0.1003000    
 N    3.397300      -1.661300     -0.2676000    
 N    4.287000      0.3353000     -0.7057000    
 C   -1.961400      0.1682000     -1.5699999E-02
 C  -0.9505000      0.2739000       1.121400    
 C   -3.410000      0.1371000      0.4847000    
 C   -4.394700      1.6899999E-02 -0.6847000    
 C    2.427800     -0.7414000      1.1800000E-02
 C    1.094100     -0.9192000      0.4873000    
 C   -5.870300     -5.7999999E-03 -0.2671000    
 C    2.997900      0.4712000     -0.2649000    
 C   0.9672000       1.633200      0.3679000    
 C   -6.833300     -0.1125000      -1.440600    
 C    4.497800     -0.9647000     -0.6960000    
 C    2.947600       2.934400     -0.4065000    
 C    3.308300      -3.096700     -0.1454000    
 H   -1.832400       1.015500     -0.7010000    
 H   -1.758500     -0.7368000     -0.6022000    
 H   -1.164600       1.167600       1.719100    
 H   -1.070400     -0.5842000       1.793700    
 H   -3.540000     -0.7086000       1.170000    
 H   -3.623900       1.051200       1.051100    
 H   -4.165800     -0.9077000      -1.230500    
 H   -4.233300      0.8492000      -1.381000    
 H   -6.098200      0.9090000      0.2914000    
 H   -6.668400      -1.040200      -1.999500    
 H   -6.717500      0.7329000      -2.125400    
 H   -7.869200     -0.1374000      -1.085800    
 H    5.418300      -1.453200     -0.9858000    
 H    2.277500       3.778900     -0.2276000    
 H    3.245400       2.937000      -1.459600    
 H    3.833100       3.046000      0.2269000    
 H    3.097200      -3.342800      0.8983000    
 H    2.506500      -3.450600     -0.7982000    
 H    4.256700      -3.548500     -0.4469000    
 H   -5.895600      -1.919200      0.1353000    


%chk=000057782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057782

0 1
O -6.072122 -1.306356 0.594226
O 0.531753 -2.027512 0.757864
O 0.297813 2.677733 0.456338
N 0.449798 0.336482 0.620160
N 2.332977 1.664170 -0.114535
N 3.482958 -1.706081 -0.228881
N 4.362626 0.360104 -0.681166
C -1.966634 0.197841 -0.090019
C -0.966796 0.305455 1.081146
C -3.424596 0.175584 0.417946
C -4.452358 0.054123 -0.727082
C 2.472611 -0.766379 0.032670
C 1.115736 -0.930871 0.488261
C -5.907256 -0.081072 -0.226263
C 3.046425 0.483787 -0.255188
C 0.987217 1.626025 0.324995
C -6.938518 -0.048300 -1.368309
C 4.586095 -0.981377 -0.649691
C 2.965993 2.960649 -0.425796
C 3.376189 -3.165894 -0.076763
H -1.818452 1.056852 -0.773162
H -1.756475 -0.727280 -0.661312
H -1.147510 1.231877 1.650714
H -1.067444 -0.569381 1.745554
H -3.570368 -0.669764 1.118859
H -3.628975 1.102668 0.992575
H -4.207911 -0.827186 -1.359372
H -4.381798 0.942761 -1.387415
H -6.123390 0.725956 0.497932
H -6.726753 -0.837730 -2.116569
H -6.920392 0.925101 -1.892774
H -7.955043 -0.211055 -0.970052
H 5.526714 -1.454481 -0.921905
H 2.220843 3.747384 -0.239785
H 3.288674 2.981497 -1.480202
H 3.850274 3.111686 0.215585
H 3.129691 -3.424745 0.965251
H 2.577349 -3.560735 -0.724549
H 4.339555 -3.622741 -0.354875
H -5.911699 -2.090696 0.007791


