%chk=000045503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045503

0 1
 N  -0.1365000     -0.5123000      -1.765100    
 N    4.467700     -0.9927000      0.3312000    
 C  -0.4376000     -0.3854000     -0.3156000    
 C   0.6819000      -1.238100      0.3471000    
 C  -0.2529000       1.057400      0.2021000    
 C  -0.6687000      0.5695000      -2.580400    
 C  -7.5199999E-02   2.128100     -0.6971000    
 C   -1.850700     -0.9418000     -1.5900001E-02
 C  -1.3700000E-02   1.885900      -2.181300    
 C    2.058100     -0.6871000      1.8000000E-03
 C  -0.2947000       1.337900       1.581700    
 C    3.150600      -1.511200      0.6810000    
 C   9.4200000E-02   3.432600     -0.2089000    
 C   -2.927900     -6.9600001E-02  4.9600001E-02
 C   -2.020000      -2.304600      0.1823000    
 C  -0.1382000       2.641100       2.055000    
 C   6.0300000E-02   3.687100       1.160400    
 C   -4.201300     -0.5708000      0.3195000    
 C   -3.293500      -2.805800      0.4520000    
 C   -4.384100      -1.938800      0.5205000    
 C    4.663500      -1.019400      -1.119400    
 C    5.518800      -1.761800      0.9995000    
 H   0.5560000      -1.294200       1.435900    
 H   0.6626000      -2.275500     -1.0300000E-02
 H  -0.4547000      -1.415100      -2.115200    
 H   -1.759400      0.6296000      -2.496400    
 H  -0.4471000      0.3683000      -3.634500    
 H  -0.5132000       2.703000      -2.715500    
 H    1.041000       1.885100      -2.485400    
 H    2.182200     -0.7227000      -1.083200    
 H    2.178300      0.3553000      0.3152000    
 H  -0.4593000      0.5431000       2.304700    
 H    3.010100      -1.452000       1.767800    
 H    3.054000      -2.567900      0.3981000    
 H   0.2511000       4.259000     -0.8978000    
 H   -2.831100      0.9973000     -0.1223000    
 H   -1.212000      -3.022400      0.1169000    
 H  -0.1719000       2.837800       3.122600    
 H   0.1867000       4.701100       1.528000    
 H   -5.051600      0.1032000      0.3676000    
 H   -3.437700      -3.871700      0.6031000    
 H   -5.376100      -2.329400      0.7281000    
 H    4.100200     -0.2278000      -1.623100    
 H    4.409900      -1.989800      -1.561600    
 H    5.712100     -0.8102000      -1.365800    
 H    5.523500      -2.812800      0.6885000    
 H    5.390900      -1.724200       2.087200    
 H    6.504800      -1.333700      0.7869000    


%chk=000045503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045503

0 1
N -0.264379 -0.491422 -1.795868
N 4.593289 -1.167702 0.454650
C -0.424182 -0.367673 -0.307081
C 0.719292 -1.226044 0.330449
C -0.268692 1.106897 0.115686
C -0.915006 0.555889 -2.608842
C -0.150248 2.163026 -0.828837
C -1.831814 -0.910041 0.093504
C -0.194930 1.884803 -2.325259
C 2.138711 -0.675139 0.080911
C -0.254353 1.419436 1.499701
C 3.213158 -1.710437 0.471616
C -0.000461 3.495709 -0.363563
C -2.956515 -0.043491 0.167519
C -2.058995 -2.303106 0.271291
C -0.101563 2.744147 1.953319
C 0.031623 3.793967 1.013495
C -4.255749 -0.547623 0.400927
C -3.355114 -2.809384 0.511305
C -4.463961 -1.934272 0.573817
C 5.035549 -0.739421 -0.887227
C 5.555068 -2.102901 1.071602
H 0.536469 -1.330606 1.417681
H 0.663475 -2.247958 -0.098628
H -0.519632 -1.442017 -2.096947
H -2.006003 0.664996 -2.398078
H -0.808122 0.280610 -3.673741
H -0.695606 2.718834 -2.853445
H 0.837006 1.813180 -2.722171
H 2.215764 -0.409765 -0.989508
H 2.309072 0.244960 0.669295
H -0.373237 0.611089 2.230763
H 3.013746 -2.062314 1.504222
H 3.118212 -2.609260 -0.199062
H 0.085994 4.305848 -1.098970
H -2.812075 1.037177 0.064824
H -1.221439 -3.007844 0.231862
H -0.089803 2.958260 3.027761
H 0.148816 4.829547 1.352179
H -5.103663 0.145120 0.454118
H -3.498996 -3.886885 0.653549
H -5.470023 -2.326244 0.760774
H 4.376516 0.056538 -1.271373
H 5.044132 -1.575390 -1.635228
H 6.059261 -0.328685 -0.822115
H 5.657738 -3.070998 0.514642
H 5.236979 -2.336986 2.103650
H 6.554090 -1.632822 1.120329


