%chk=000144754.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144754

0 1
 O    5.685200      -1.287100     -0.3144000    
 O    5.725100      0.7182000      0.5780000    
 N  -0.4631000      0.1156000     -0.5442000    
 N    5.102000     -0.2435000      6.6500001E-02
 C    1.639400       1.096000      0.1804000    
 C   0.9311000      3.9200000E-02 -0.3853000    
 C   -2.643500     -0.3044000      0.4268000    
 C    3.023000       1.002500      0.3302000    
 C    3.693500     -0.1475000     -8.6199999E-02
 C    1.596700      -1.110600     -0.8023000    
 C   -4.714900      0.2092000     -0.7057000    
 C   -3.320200      0.1941000     -0.6863000    
 C    2.980300      -1.204100     -0.6526000    
 C   0.9434000       2.337500      0.6337000    
 C   -1.189500     -0.3212000      0.4479000    
 C   -3.361400     -0.7879000       1.520700    
 C   -5.432700     -0.2742000      0.3882000    
 C   -4.756100     -0.7728000       1.501300    
 C   -5.438500      0.7411000      -1.896600    
 H    3.561500       1.836200      0.7753000    
 H    1.049400      -1.938500      -1.245300    
 H   -2.776000      0.5764000      -1.546700    
 H    3.469000      -2.115100     -0.9884000    
 H    1.652800       3.126500      0.9063000    
 H   0.3260000       2.127700       1.513200    
 H   0.3101000       2.739800     -0.1643000    
 H  -0.7079000     -0.7267000       1.357900    
 H   -2.848400      -1.179500       2.395300    
 H   -6.519500     -0.2665000      0.3866000    
 H   -5.315100      -1.148800       2.353300    
 H   -4.908400      0.4897000      -2.821600    
 H   -6.443400      0.3129000      -1.976900    
 H   -5.528700       1.829600      -1.826000    


%chk=000144754-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000144754

0 1
O 5.754219 -1.403422 -0.159936
O 5.898947 0.872977 -0.063547
N -0.457128 0.184543 -0.060089
N 5.216748 -0.226796 -0.099907
C 1.735075 1.258927 0.015463
C 0.944187 0.059037 -0.010754
C -2.728337 -0.530669 0.485274
C 3.136895 1.140916 -0.010055
C 3.745509 -0.135123 -0.068196
C 1.582628 -1.216282 -0.081376
C -4.752688 0.345365 -0.623928
C -3.348687 0.316637 -0.474088
C 2.981381 -1.322151 -0.109834
C 1.056692 2.609587 0.088090
C -1.266761 -0.571101 0.640741
C -3.533238 -1.366600 1.306711
C -5.538399 -0.503096 0.205890
C -4.935464 -1.350110 1.163340
C -5.412057 1.273690 -1.629077
H 3.775080 2.028749 0.012023
H 0.964990 -2.118133 -0.151606
H -2.704731 0.947808 -1.096920
H 3.489213 -2.288173 -0.168200
H 1.777210 3.429361 -0.068739
H 0.571573 2.762364 1.070557
H 0.254535 2.679495 -0.668555
H -0.879965 -1.272550 1.410656
H -3.059291 -2.023510 2.046748
H -6.629877 -0.497960 0.097393
H -5.559367 -1.995759 1.790650
H -4.779157 1.418258 -2.521896
H -6.390183 0.884184 -1.961213
H -5.588350 2.273338 -1.186820


