%chk=000023594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023594

0 1
 O    2.757900      0.2919000      0.2778000    
 N   -3.563500      6.8400003E-02 -9.9799998E-02
 C   -2.663200     -0.8046000     -0.8520000    
 C   -1.217200     -0.5126000     -0.5505000    
 C   0.5590000       1.075200     -0.2315000    
 C   0.9982000      -1.292700     -3.9500002E-02
 C  -0.3415000      -1.563800     -0.3182000    
 C  -0.7807000      0.8042000     -0.5100000    
 C    1.448300      2.6799999E-02  3.8000001E-03
 C   -4.955300     -0.2009000     -0.4595000    
 C   -3.363800     -0.1082000       1.338200    
 C    1.022100       2.494400     -0.1887000    
 C    1.934700      -2.428500      0.2103000    
 C   -5.195500      3.7300002E-02  -1.940600    
 C   -4.292000      0.7919000       2.136000    
 C   0.9035000       3.100000       1.206700    
 C    1.999400      -2.811600       1.685900    
 C    3.648500      0.3661000     -0.8327000    
 C    5.010200      0.7182000     -0.3328000    
 C    6.090800     -5.1700000E-02 -0.5031000    
 H   -2.892200      -1.860000     -0.6513000    
 H   -2.759800     -0.6541000      -1.933100    
 H  -0.6942000      -2.591500     -0.3511000    
 H   -1.465600       1.625700     -0.7047000    
 H   -5.631700      0.4898000      5.3900000E-02
 H   -5.259500      -1.220900     -0.1929000    
 H   -2.346200      0.1605000       1.640000    
 H   -3.523400      -1.150700       1.643300    
 H    2.051800       2.602100     -0.5393000    
 H   0.4249000       3.095100     -0.8872000    
 H    1.610700      -3.303400     -0.3685000    
 H    2.945000      -2.216300     -0.1485000    
 H   -4.779600      0.9953000      -2.271300    
 H   -4.787500     -0.7631000      -2.565400    
 H   -6.273400      6.5300003E-02  -2.137200    
 H   -4.279000       1.822400       1.764400    
 H   -5.323600      0.4271000       2.149200    
 H   -3.962400      0.8205000       3.181000    
 H  -0.1317000       3.075000       1.563700    
 H    1.233600       4.143600       1.195100    
 H    1.522000       2.555700       1.928400    
 H    2.362000      -1.977400       2.295900    
 H    2.680000      -3.657100       1.827300    
 H    1.013500      -3.102200       2.064400    
 H    3.322200       1.139600      -1.536700    
 H    3.660900     -0.5837000      -1.378600    
 H    5.119900       1.661600      0.1956000    
 H    7.054700      0.2618000     -0.1175000    
 H    6.035000      -1.000800      -1.024500    


%chk=000023594-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023594

0 1
O 2.799982 0.196555 0.280884
N -3.718473 -0.121502 -0.100166
C -2.755570 -1.101124 -0.662119
C -1.296712 -0.752871 -0.375117
C 0.495257 0.933700 -0.163794
C 1.027230 -1.484901 0.047815
C -0.344892 -1.775156 -0.154382
C -0.862641 0.593675 -0.370378
C 1.427889 -0.122990 0.024907
C -5.050010 -0.192663 -0.758056
C -3.790557 -0.203317 1.384947
C 0.923631 2.391178 -0.069058
C 2.021860 -2.594086 0.357817
C -5.064566 0.444234 -2.161678
C -4.320413 1.087506 2.037189
C 1.091109 2.850948 1.404497
C 2.324351 -2.698284 1.876832
C 3.629963 0.320394 -0.950390
C 4.958549 0.901511 -0.547496
C 6.159454 0.383142 -0.902849
H -2.960763 -2.142234 -0.301233
H -2.905796 -1.121886 -1.758904
H -0.672472 -2.823574 -0.132274
H -1.613238 1.380277 -0.510745
H -5.769103 0.352777 -0.121233
H -5.419625 -1.248994 -0.817569
H -2.763666 -0.384972 1.751227
H -4.407600 -1.078766 1.714162
H 1.882613 2.554088 -0.595264
H 0.168354 3.025861 -0.569780
H 1.619601 -3.558804 -0.006268
H 2.975655 -2.418514 -0.173220
H -4.746767 1.499695 -2.101548
H -4.386350 -0.075299 -2.862807
H -6.082325 0.404145 -2.593098
H -3.689144 1.944423 1.743557
H -5.361035 1.312542 1.740788
H -4.301305 0.995629 3.139149
H 0.144004 2.735611 1.962135
H 1.393637 3.913511 1.453738
H 1.864076 2.244189 1.907231
H 2.763397 -1.753666 2.240988
H 3.040247 -3.516249 2.079867
H 1.401020 -2.896740 2.450922
H 3.105599 0.989406 -1.666277
H 3.750869 -0.671329 -1.431400
H 4.903094 1.814376 0.061794
H 7.099612 0.864568 -0.612606
H 6.238272 -0.536319 -1.496537


