%chk=000056355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056355

0 1
 O    1.525600     -0.3374000     -1.4300000E-02
 O   -4.657900      0.4253000     -0.3469000    
 O   0.9610000      -2.553600      0.2477000    
 N    5.155100      0.3157000      5.3800002E-02
 C    3.732700      0.6043000     -5.3199999E-02
 C    2.914800     -0.6704000      7.9400003E-02
 C    5.943900       1.537900     -3.0500000E-02
 C  -0.7390000     -0.9047000     -2.6699999E-02
 C    7.430400       1.239700      6.7800000E-02
 C   -3.373000     -1.0500000E-02 -0.2411000    
 C   0.6341000      -1.370600      8.4700003E-02
 C   -1.792900      -1.815100      4.9100000E-02
 C   -1.002000      0.4530000     -0.2098000    
 C   -3.109800      -1.368200     -5.8100000E-02
 C   -2.319000      0.9001000     -0.3170000    
 C   -4.935700       1.746400      0.1152000    
 C   -6.368500       1.808100      0.6000000    
 H    3.416700       1.312300      0.7235000    
 H    3.504300       1.075500      -1.017300    
 H    3.170500      -1.373400     -0.7224000    
 H    3.102200      -1.146700       1.049300    
 H    5.347500     -0.1570000      0.9365000    
 H    5.753100       2.044400     -0.9839000    
 H    5.668300       2.227200      0.7763000    
 H    7.676600      0.7638000       1.022900    
 H    7.754200      0.5749000     -0.7400000    
 H    8.008000       2.166800     -5.7999999E-03
 H   -1.610100      -2.877000      0.1914000    
 H  -0.2130000       1.196500     -0.2808000    
 H   -3.926900      -2.081900      1.5000000E-03
 H   -2.479500       1.960700     -0.4867000    
 H   -4.792800       2.453500     -0.7093000    
 H   -4.291200       2.028300      0.9573000    
 H   -6.530700       1.096000       1.416000    
 H   -7.059600       1.533100     -0.2038000    
 H   -6.619800       2.812300      0.9526000    


%chk=000056355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056355

0 1
O 1.597110 -0.209396 -0.003433
O -4.809616 0.300699 0.171204
O 1.037924 -2.473203 0.014239
N 5.281345 0.354688 0.054667
C 3.842805 0.688268 0.048481
C 3.029801 -0.604965 -0.057728
C 6.194747 1.510959 -0.077634
C -0.728815 -0.791962 0.059251
C 7.662908 1.054407 -0.034501
C -3.443534 0.013786 0.132574
C 0.676388 -1.268295 0.021680
C -1.768762 -1.762923 0.092810
C -1.068116 0.584135 0.062137
C -3.112775 -1.368128 0.129092
C -2.415747 0.994050 0.098597
C -5.226518 1.720615 0.179381
C -6.751495 1.730713 0.225408
H 3.504753 1.263029 0.945203
H 3.636622 1.320443 -0.835518
H 3.231670 -1.131978 -1.006011
H 3.240238 -1.301138 0.776615
H 5.534764 -0.230195 0.863925
H 5.986670 1.998291 -1.050535
H 6.023700 2.287397 0.710915
H 7.905357 0.578426 0.935360
H 7.860233 0.320360 -0.835097
H 8.344716 1.913746 -0.165770
H -1.495036 -2.822942 0.089344
H -0.267943 1.329046 0.035264
H -3.924531 -2.100936 0.155077
H -2.652016 2.061807 0.100062
H -4.845607 2.218620 -0.735372
H -4.791523 2.223837 1.066819
H -7.117539 1.223655 1.134189
H -7.171215 1.213036 -0.653701
H -7.123364 2.771347 0.230408


