%chk=000017770.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017770

0 1
 N   -4.146300      -1.485300      0.1557000    
 N   -1.136900       3.175600      0.3266000    
 N  -0.2853000      -1.569400      -2.991700    
 C  -0.4464000     -0.5430000     -0.5530000    
 C   -1.711000      -1.171600      0.1283000    
 C  -0.7166000      0.9929000     -0.7164000    
 C   0.8027000     -0.7778000      0.3157000    
 C   -3.045900     -0.8454000     -0.5597000    
 C  -0.8936000       1.762400      0.6020000    
 C    2.035900     -0.2954000     -8.1900001E-02
 C   0.5973000      -1.482800       1.479800    
 C  -0.3466000      -1.123100      -1.921600    
 C    3.145100     -0.5445000      0.7612000    
 C    2.226700      0.4223000      -1.273900    
 C    1.688000      -1.727700       2.308900    
 C    2.954300      -1.262200       1.953100    
 C   -5.426400      -1.157400     -0.4725000    
 C   -4.149900      -1.079000       1.561400    
 C   -1.338400       3.914300       1.573500    
 C   -2.295700       3.335200     -0.5527000    
 C    4.412300     -6.8499997E-02  0.3873000    
 C    3.493000      0.8877000      -1.629600    
 C    4.583600      0.6428000     -0.8006000    
 H   -1.615400      -2.267000      0.1672000    
 H   -1.771900     -0.7838000       1.147500    
 H   4.4799998E-02   1.526200      -1.285100    
 H   -1.590700       1.097700      -1.365900    
 H   -3.029000      -1.209000      -1.593300    
 H   -3.230800      0.2323000     -0.5879000    
 H   1.6100001E-02   1.673600       1.205900    
 H   -1.721200       1.349800       1.188500    
 H  -0.3274000      -1.912900       1.835700    
 H    1.477200      0.5789000      -2.034900    
 H    1.557400      -2.287200       3.230900    
 H    3.792800      -1.466600       2.615600    
 H   -5.642700     -8.3300002E-02 -0.4375000    
 H   -6.246200      -1.690800      2.1600001E-02
 H   -5.434200      -1.477100      -1.520600    
 H   -5.084400      -1.391800       2.044400    
 H   -4.065500      6.5000001E-03   1.690000    
 H   -3.366600      -1.583200       2.136200    
 H  -0.4639000       3.813700       2.226300    
 H   -2.221100       3.567000       2.122900    
 H   -1.455600       4.985100       1.372900    
 H   -3.167400       2.764900     -0.2118000    
 H   -2.064800       3.074300      -1.590000    
 H   -2.594600       4.390000     -0.5980000    
 H    5.279300     -0.2494000       1.019400    
 H    3.633100       1.422000      -2.565100    
 H    5.570100       1.000800      -1.080700    


%chk=000017770-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017770

0 1
N -4.233204 -1.698530 0.133112
N -1.028994 3.312129 0.599480
N -0.454096 -1.543772 -2.871718
C -0.559555 -0.429923 -0.434533
C -1.803138 -1.111745 0.246781
C -0.806345 1.123987 -0.603351
C 0.761892 -0.683971 0.357850
C -3.129745 -0.960493 -0.528252
C -1.149873 1.839801 0.720733
C 2.060612 -0.303236 -0.177393
C 0.705779 -1.249264 1.639697
C -0.461391 -1.039255 -1.789497
C 3.242267 -0.490951 0.650150
C 2.263329 0.244884 -1.492205
C 1.871582 -1.440250 2.441575
C 3.119473 -1.059296 1.959331
C -5.349359 -1.974685 -0.796430
C -4.707798 -1.047917 1.371526
C -1.029640 3.970183 1.922510
C -2.034249 3.906133 -0.305674
C 4.533692 -0.113392 0.152286
C 3.533595 0.597474 -1.952207
C 4.684495 0.426445 -1.124054
H -1.611239 -2.193319 0.366452
H -1.915627 -0.679129 1.256005
H 0.101902 1.602281 -1.005493
H -1.611366 1.266189 -1.346858
H -3.002784 -1.383782 -1.541617
H -3.387738 0.123354 -0.654396
H -0.436040 1.510696 1.499273
H -2.177504 1.546807 1.064903
H -0.250713 -1.566561 2.060054
H 1.419514 0.367243 -2.174276
H 1.769852 -1.886332 3.436632
H 4.022303 -1.194070 2.566623
H -5.857244 -1.049520 -1.171575
H -6.108691 -2.595973 -0.288462
H -4.975652 -2.538367 -1.669016
H -5.506179 -1.661194 1.825450
H -5.118244 -0.019482 1.195308
H -3.890554 -0.968670 2.108909
H -0.211363 3.561575 2.541563
H -1.990037 3.839488 2.484919
H -0.854570 5.053684 1.797399
H -3.088536 3.731195 0.033915
H -1.928482 3.494289 -1.323357
H -1.871914 4.996723 -0.368266
H 5.406115 -0.264128 0.799495
H 3.647971 1.003354 -2.963093
H 5.674791 0.710091 -1.496106


