%chk=000059318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059318

0 1
 N   0.5534000     -0.6205000     -0.6401000    
 N    3.885400      -1.557100      0.7013000    
 C    1.508600      -1.103300      0.3329000    
 C   0.3877000      0.7709000     -0.8466000    
 C  -0.2214000      -1.568200      -1.410500    
 C    2.905200      -1.099000     -0.2752000    
 C  -2.9100001E-02   1.623700      0.1884000    
 C   -1.528200      -1.860200     -0.7269000    
 C  -0.1791000       3.006600     -7.2400004E-02
 C   0.6528000       1.274200      -2.120400    
 C  -0.3004000       1.134500       1.476500    
 C   9.2200004E-02   3.495900      -1.360600    
 C   0.5054000       2.634100      -2.377000    
 C  -0.5959000       3.859600      0.9625000    
 C    5.235000      -1.518500      0.1349000    
 C    3.565600      -2.911100       1.157600    
 C   -1.606000      -2.904500      0.1857000    
 C   -2.641900      -1.081900      -1.015500    
 C  -0.7137000       1.996300       2.492900    
 C  -0.8611000       3.356200       2.236300    
 C   -2.818300      -3.175500      0.8201000    
 C   -3.854100      -1.352800     -0.3808000    
 C   -3.942200      -2.399600      0.5370000    
 H    1.551900     -0.5111000       1.249500    
 H    1.207100      -2.109500      0.6361000    
 H   0.3402000      -2.503000      -1.542500    
 H  -0.4100000      -1.218000      -2.433400    
 H    2.923500      -1.719600      -1.181600    
 H    3.158600     -7.7600002E-02 -0.5873000    
 H   0.9896000      0.6235000      -2.923500    
 H  -0.2997000      7.8699999E-02   1.725200    
 H  -1.5500000E-02   4.555400      -1.583600    
 H   0.7152000       3.026000      -3.368000    
 H  -0.7191000       4.925800      0.7844000    
 H    5.490300     -0.5013000     -0.1827000    
 H    5.340500      -2.186400     -0.7278000    
 H    5.977700      -1.805500      0.8876000    
 H    4.390100      -3.315300       1.757800    
 H    3.391500      -3.604500      0.3266000    
 H    2.701700      -2.923400       1.829200    
 H  -0.7404000      -3.520200      0.4119000    
 H   -2.585400     -0.2644000      -1.728700    
 H  -0.9415000       1.602800       3.479300    
 H   -1.187800       4.025700       3.026700    
 H   -2.887300      -3.991200       1.533800    
 H   -4.729300     -0.7486000     -0.6010000    
 H   -4.886100      -2.610600       1.030900    


%chk=000059318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059318

0 1
N -0.070270 -0.142266 -0.410560
N 3.126447 -1.777518 0.957117
C 0.884305 -0.730302 0.572013
C 0.176200 1.193229 -0.858228
C -0.634958 -1.103684 -1.388093
C 2.251133 -1.130299 -0.048067
C 0.086677 2.294011 0.087885
C -1.438897 -2.212458 -0.711841
C 0.415336 3.634752 -0.356070
C 0.465606 1.479494 -2.206267
C -0.374057 2.115497 1.434139
C 0.744767 3.869588 -1.732567
C 0.735819 2.811271 -2.641544
C 0.360061 4.714253 0.588144
C 4.563521 -1.630484 0.649460
C 2.766236 -3.186686 1.216192
C -1.236033 -3.569121 -1.062248
C -2.429784 -1.894274 0.252039
C -0.439013 3.190138 2.325248
C -0.044423 4.499365 1.907082
C -2.011994 -4.592476 -0.468283
C -3.204201 -2.912269 0.848796
C -2.998803 -4.266475 0.489263
H 1.086849 -0.005760 1.375872
H 0.397762 -1.607385 1.034700
H 0.140835 -1.569633 -2.038724
H -1.303578 -0.526479 -2.054924
H 2.097268 -1.787219 -0.943167
H 2.750559 -0.210532 -0.405091
H 0.528858 0.663961 -2.933968
H -0.717315 1.124050 1.744594
H 0.984557 4.888283 -2.058315
H 0.969116 2.988931 -3.697519
H 0.628467 5.721779 0.247753
H 4.816082 -0.560520 0.546473
H 4.875281 -2.153867 -0.290907
H 5.163852 -2.043832 1.480468
H 3.374203 -3.576926 2.052005
H 2.932101 -3.849201 0.326990
H 1.704891 -3.268851 1.504878
H -0.468147 -3.826772 -1.802955
H -2.575442 -0.844305 0.531635
H -0.806272 3.034002 3.345657
H -0.085226 5.333592 2.616263
H -1.843870 -5.638512 -0.748905
H -3.968532 -2.653533 1.590546
H -3.600274 -5.057055 0.952030


