%chk=000012831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012831

0 1
 O   2.2000000E-03  -1.664500      0.9248000    
 O    1.633800       2.450500     -0.3372000    
 O    2.636900      -1.900800     -0.7759000    
 N  -0.4961000       1.505300     -0.4009000    
 N    1.182700      0.2790000      0.4025000    
 C   -1.136300      0.2623000     -4.6799999E-02
 C   -1.771600     -0.4361000      -1.251500    
 C   -2.237300      0.4328000       1.006200    
 C   -3.045900      -1.056700     -0.6945000    
 C   -3.519200     -2.7000001E-02  0.3175000    
 C   6.3800000E-02 -0.5200000      0.4939000    
 C   0.8728000       1.513800     -0.1319000    
 C    2.514700     -0.1123000      0.8194000    
 C    3.299600     -0.7263000     -0.3255000    
 H   -1.126600      -1.193800      -1.708800    
 H   -2.033400      0.2909000      -2.030800    
 H   -2.339700       1.464900       1.359200    
 H   -2.051300     -0.1959000       1.885200    
 H   -2.820300      -2.006000     -0.1947000    
 H   -3.789300      -1.246900      -1.473800    
 H   -3.990300      0.8183000     -0.1982000    
 H   -4.244200     -0.4398000       1.025000    
 H  -0.9875000       2.298100     -0.8020000    
 H    2.414400     -0.8412000       1.631100    
 H    3.041400      0.7708000       1.195800    
 H    4.302300      -1.008800      8.2999999E-03
 H    3.397600     -3.6300000E-02  -1.170000    
 H    1.799700      -1.625000      -1.185800    


%chk=000012831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012831

0 1
O 0.420743 -1.815439 0.383902
O 1.285877 2.789406 -0.130898
O 3.177716 -2.189325 0.275567
N -0.716663 1.501665 -0.240682
N 1.208885 0.417315 0.220106
C -1.122255 0.088775 -0.078110
C -1.851554 -0.506973 -1.334323
C -2.145331 -0.122133 1.080158
C -3.370225 -0.597290 -0.967612
C -3.511831 0.124766 0.401199
C 0.238528 -0.575292 0.205758
C 0.637335 1.718808 -0.064901
C 2.650143 0.254999 0.509762
C 3.341252 -0.863680 -0.305030
H -1.436412 -1.506041 -1.552196
H -1.661391 0.134070 -2.212380
H -1.935673 0.537538 1.939367
H -2.068928 -1.173260 1.416943
H -3.667887 -1.656130 -0.863354
H -4.013280 -0.150466 -1.745476
H -3.679686 1.210763 0.256837
H -4.355991 -0.257156 1.000914
H -1.355613 2.265381 -0.451892
H 2.786919 0.036640 1.585861
H 3.100398 1.240540 0.292513
H 4.428411 -0.675158 -0.292060
H 2.994110 -0.820886 -1.361063
H 2.195304 -2.362138 0.371689


