%chk=000027308.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027308

1 1
 O   0.8480000      -1.127100      0.2879000    
 N    4.502400     -0.6287000     -1.6000000E-03
 C  -0.2858000     -0.4542000     -0.2241000    
 C   -2.413000      0.7708000      -1.180500    
 C  -0.2645000     -0.4616000      -1.781400    
 C   -1.522500      0.2650000      -2.346400    
 C  -0.3725000       1.019700      0.1861000    
 C   -1.602800      -1.126500      0.1740000    
 C   -1.521500       1.674400     -0.3354000    
 C   -2.746300     -0.4610000     -0.3456000    
 C   0.5220000       1.715000      0.9898000    
 C   -1.752900      -2.259800      0.9630000    
 C    2.062000     -0.5283000     -0.1531000    
 C   -1.766700       3.012300     -5.7799999E-02
 C   -4.025500     -0.9288000     -7.7900000E-02
 C    3.240900      -1.281000      0.4314000    
 C   0.2731000       3.061900       1.265300    
 C   -3.041900      -2.728600       1.228800    
 C  -0.8601000       3.704700      0.7459000    
 C   -4.167500      -2.069600      0.7132000    
 C    4.541000      0.8370000      0.4518000    
 C    5.719600      -1.346200      0.5972000    
 C    4.634400     -0.6592000      -1.530400    
 H   -3.308500       1.286100      -1.541100    
 H  -0.2171000      -1.488700      -2.166700    
 H   0.6020000      6.2100001E-02  -2.200800    
 H   -1.209200       1.104000      -2.980900    
 H   -2.084400     -0.4274000      -2.986100    
 H    1.338200       1.247100       1.527900    
 H  -0.8941000      -2.781400       1.372100    
 H    2.137500      0.5416000     -6.4700000E-02
 H    2.117500     -0.7364000      -1.224200    
 H   -2.644200       3.514700     -0.4512000    
 H   -4.901000     -0.4229000     -0.4711000    
 H    3.249300      -2.329200      0.1079000    
 H    3.201200      -1.272500       1.527600    
 H   0.9486000       3.611900       1.915300    
 H   -3.175300      -3.614700       1.843900    
 H   -1.037600       4.750900      0.9803000    
 H   -5.160500      -2.451800      0.9341000    
 H    4.227100      0.8870000       1.498400    
 H    5.572100       1.193100      0.3557000    
 H    3.908900       1.453300     -0.1916000    
 H    5.642900      -1.292200       1.687100    
 H    5.699200      -2.387000      0.2608000    
 H    6.629900     -0.8486000      0.2502000    
 H    3.912800      2.5300000E-02  -1.983200    
 H    5.644800     -0.3268000      -1.789400    
 H    4.478000      -1.687200      -1.870100    


%chk=000027308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027308

1 1
O 0.907793 -0.868365 0.048104
N 4.673845 -0.740693 0.020450
C -0.335184 -0.202252 -0.406844
C -2.625494 0.866040 -1.073686
C -0.423211 -0.086360 -1.975320
C -1.798891 0.545491 -2.375452
C -0.523511 1.204621 0.173216
C -1.529414 -1.048078 0.034919
C -1.761940 1.786919 -0.216488
C -2.771328 -0.459523 -0.327536
C 0.347768 1.896696 1.035780
C -1.481276 -2.283095 0.705015
C 2.146562 -0.404170 -0.565826
C -2.101601 3.080268 0.222987
C -3.976119 -1.117472 -0.017160
C 3.194709 -0.963525 0.412470
C 0.001313 3.196290 1.482235
C -2.697134 -2.938232 1.022441
C -1.212577 3.790081 1.067659
C -3.936518 -2.359858 0.663452
C 4.993735 0.752225 -0.054300
C 5.544764 -1.382300 1.103801
C 4.989415 -1.402490 -1.321211
H -3.598620 1.316483 -1.328431
H -0.314064 -1.098666 -2.404632
H 0.401535 0.546333 -2.352628
H -1.646736 1.474849 -2.951309
H -2.374715 -0.153945 -3.005290
H 1.262205 1.417158 1.404608
H -0.518468 -2.723354 0.978373
H 2.177256 0.701719 -0.626215
H 2.261062 -0.825328 -1.585259
H -3.056645 3.529008 -0.072317
H -4.937265 -0.670620 -0.295300
H 3.046753 -2.052990 0.508518
H 3.050969 -0.504407 1.405394
H 0.665895 3.737534 2.164665
H -2.677683 -3.897231 1.551401
H -1.476916 4.793088 1.418773
H -4.870723 -2.872983 0.915403
H 4.734326 1.221901 0.906620
H 6.068987 0.876375 -0.255122
H 4.410292 1.213410 -0.863525
H 5.310389 -0.919553 2.074330
H 5.329687 -2.460852 1.144751
H 6.605340 -1.220571 0.857518
H 4.455036 -0.878764 -2.126010
H 6.074245 -1.345356 -1.499248
H 4.670152 -2.454956 -1.283375


