%chk=000008219.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008219

0 1
 N    4.551400       3.151900       1.371500    
 C   -1.415900       2.191300     -0.6695000    
 C   -2.111400       1.324800      -1.723200    
 C   9.6199997E-02   1.950100     -0.6692000    
 C   0.6096000      -2.489200      0.7642000    
 C  -0.8572000      -2.149100      0.4870000    
 C   -3.635500       1.497700      -1.752000    
 C    1.484100      -2.198500     -0.4584000    
 C   0.8576000       2.843500      0.3158000    
 C   -1.792700      -2.449200       1.665000    
 C    2.959200      -2.552600     -0.2481000    
 C   -4.372000       1.072700     -0.4768000    
 C   -3.280200      -2.157300       1.436100    
 C    2.367300       2.578600      0.3349000    
 C    3.826700      -2.283900      -1.478700    
 C   -4.121200     -0.3594000     -0.1018000    
 C   -3.563700     -0.7326000       1.059500    
 C    3.118200       3.418900       1.371500    
 C    5.279400      -2.657600      -1.227800    
 H   -1.622100       3.249000     -0.8712000    
 H   -1.806600       1.968600      0.3291000    
 H   -1.856400      0.2700000      -1.572000    
 H   -1.720700       1.593100      -2.713100    
 H   0.4917000       2.118100      -1.678600    
 H   0.2920000      0.9015000     -0.4226000    
 H   0.9677000      -1.906200       1.620900    
 H   0.6954000      -3.548700       1.033200    
 H  -0.9263000      -1.086600      0.2320000    
 H   -1.201800      -2.710700     -0.3901000    
 H   -4.028600      0.9186000      -2.597700    
 H   -3.874200       2.547800      -1.961600    
 H    1.406800      -1.137200     -0.7199000    
 H    1.102000      -2.764000      -1.317500    
 H   0.6794000       3.895800      6.2899999E-02
 H   0.4537000       2.686600       1.323600    
 H   -1.450900      -1.875600       2.536500    
 H   -1.691000      -3.507600       1.936500    
 H    3.347200      -1.977600      0.6019000    
 H    3.037300      -3.612500      2.4400000E-02
 H   -4.108700       1.747200      0.3462000    
 H   -5.449700       1.198300     -0.6380000    
 H   -3.659000      -2.840100      0.6654000    
 H   -3.832700      -2.388600       2.354600    
 H    2.539200       1.514100      0.5406000    
 H    2.777500       2.777300     -0.6633000    
 H    3.767300      -1.223200      -1.749000    
 H    3.448100      -2.858400      -2.331900    
 H   -4.406900      -1.115900     -0.8281000    
 H   -3.281200      2.6699999E-02   1.784700    
 H    2.958400       4.483100       1.166200    
 H    2.717400       3.215300       2.370900    
 H    5.374800      -3.720800     -0.9852000    
 H    5.696100      -2.076900     -0.3987000    
 H    5.881500      -2.457200      -2.119400    
 H    4.995300       3.686000       2.117300    
 H    4.716600       2.169200       1.585200    


%chk=000008219-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008219

0 1
N 4.823016 2.252580 0.429991
C -1.514770 2.172223 -0.588877
C -2.467247 1.684240 -1.704082
C -0.027079 2.030752 -0.984647
C 0.553169 -2.388106 0.836489
C -0.913289 -2.272572 0.362899
C -3.970768 1.927321 -1.428320
C 1.583701 -2.067560 -0.270112
C 0.957767 2.299743 0.175374
C -1.934841 -2.680084 1.448356
C 3.041437 -2.031068 0.241819
C -4.512937 1.259275 -0.131297
C -3.410103 -2.371175 1.066556
C 2.437398 2.213861 -0.260474
C 4.080136 -1.779670 -0.875120
C -4.258633 -0.234039 -0.071456
C -3.687630 -0.883842 0.976510
C 3.428954 2.330385 0.914706
C 5.528367 -1.693963 -0.345661
H -1.734578 3.232220 -0.342113
H -1.701083 1.587467 0.334575
H -2.297577 0.599009 -1.860632
H -2.195330 2.183875 -2.657156
H 0.196136 2.718278 -1.827011
H 0.146351 1.003503 -1.371034
H 0.709927 -1.698725 1.693081
H 0.739826 -3.411595 1.225035
H -1.113723 -1.228204 0.047589
H -1.064972 -2.903708 -0.537924
H -4.556187 1.551164 -2.292730
H -4.164959 3.017964 -1.369006
H 1.334630 -1.086264 -0.726783
H 1.494869 -2.818646 -1.082735
H 0.757220 3.302499 0.607427
H 0.767349 1.566304 0.987758
H -1.693197 -2.150335 2.394139
H -1.831649 -3.763132 1.663662
H 3.135922 -1.237708 1.013660
H 3.278648 -2.988729 0.751334
H -4.070121 1.742465 0.761007
H -5.605430 1.454145 -0.081646
H -3.661732 -2.861444 0.105007
H -4.070594 -2.822859 1.836965
H 2.606543 1.245323 -0.779381
H 2.669961 3.009137 -0.994780
H 3.821846 -0.841014 -1.408527
H 4.008506 -2.590094 -1.628733
H -4.562810 -0.816030 -0.957580
H -3.382716 -0.292557 1.857312
H 3.292299 3.313049 1.407305
H 3.168755 1.551347 1.675554
H 5.822340 -2.633660 0.158733
H 5.632466 -0.875887 0.394015
H 6.250679 -1.508926 -1.162162
H 5.534534 2.447126 1.141150
H 5.029699 1.394942 -0.093828


