%chk=000048803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048803

0 1
 O    1.941000      -1.456600       1.567400    
 O  -5.7100002E-02 -0.4151000      -2.476700    
 O    2.807000       2.588100     -0.5474000    
 N    2.284100      0.6605000      0.6622000    
 N    1.327800       1.101500      -1.454800    
 C   0.3789000     -0.6997000     -0.1101000    
 C  -0.7875000     -7.4000000E-03  0.6180000    
 C   -2.116600     -0.1292000     -0.1507000    
 C   3.5399999E-02  -2.184600     -0.3081000    
 C    1.613700     -0.5677000      0.7793000    
 C   0.5303000     -3.0800000E-02  -1.466500    
 C  -0.9438000     -0.5992000       2.021000    
 C   -3.288600      0.5735000      0.5412000    
 C    1.139900      -2.900500      -1.052200    
 C   -4.573400      0.4427000     -0.2784000    
 C    2.174500       1.534500     -0.4368000    
 C    3.284400      0.9846000       1.672400    
 C   -5.749900       1.105400      0.4203000    
 H  -0.5659000       1.062400      0.7367000    
 H   -2.408700      -1.176100     -0.2767000    
 H   -2.021100      0.3049000      -1.150900    
 H  -0.8734000      -2.331900     -0.8991000    
 H  -0.1115000      -2.709400      0.6416000    
 H   -1.336800      -1.620200       2.013500    
 H  -2.9200001E-02 -0.5778000       2.617000    
 H   -1.648800      6.9999998E-04   2.607600    
 H   -3.049400       1.633100      0.6909000    
 H   -3.474300      0.1351000       1.527000    
 H    1.294200      -2.513800      -2.063400    
 H    2.099300      -2.866100     -0.5288000    
 H   0.8784000      -3.959700      -1.159500    
 H    1.340200       1.651400      -2.309400    
 H   -4.434600      0.9019000      -1.264000    
 H   -4.805700     -0.6159000     -0.4432000    
 H    3.322700       2.065200       1.838200    
 H    4.259700      0.6492000       1.306000    
 H    3.064100      0.4821000       2.618400    
 H   -6.656300       1.003200     -0.1846000    
 H   -5.938600      0.6443000       1.395000    
 H   -5.563200       2.172800      0.5752000    


%chk=000048803-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048803

0 1
O 2.038362 -1.502684 1.537672
O -0.180334 -0.232227 -2.469563
O 2.672297 2.722583 -0.326110
N 2.268385 0.659359 0.722601
N 1.186946 1.233793 -1.322716
C 0.372187 -0.784248 -0.121877
C -0.856395 -0.156719 0.729536
C -2.225878 -0.397065 0.031693
C 0.145472 -2.284406 -0.449151
C 1.629885 -0.610553 0.749693
C 0.440163 0.044088 -1.409710
C -0.883050 -0.671130 2.188945
C -3.294341 0.646161 0.438850
C 1.287667 -2.935237 -1.259215
C -4.672564 0.365610 -0.203014
C 2.071666 1.617551 -0.296364
C 3.322341 0.950420 1.724487
C -5.736160 1.418733 0.175069
H -0.679996 0.940129 0.759047
H -2.591668 -1.411037 0.289464
H -2.114025 -0.370083 -1.068731
H -0.794521 -2.367669 -1.020302
H 0.019027 -2.828181 0.503149
H -0.924615 -1.773679 2.229899
H -0.005109 -0.347412 2.773062
H -1.783702 -0.280039 2.694786
H -2.951838 1.658096 0.136233
H -3.409888 0.672206 1.541766
H 1.424431 -2.435422 -2.234879
H 2.241128 -2.910391 -0.703460
H 1.049404 -3.994830 -1.461905
H 1.140449 1.875891 -2.120630
H -4.559679 0.329791 -1.305478
H -5.020312 -0.641130 0.106512
H 3.303124 2.025521 1.955035
H 4.319299 0.687228 1.331144
H 3.122116 0.344790 2.619700
H -6.711121 1.194123 -0.294861
H -5.889555 1.453980 1.270303
H -5.428396 2.429493 -0.153078


