%chk=000064417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064417

0 1
 O   -3.305900      -1.830300     -0.2793000    
 N   -2.626600      0.3895000      9.3599997E-02
 N   -6.616900       1.473000     -0.3640000    
 C    3.039400      5.7200000E-02  1.3000000E-02
 C    5.228900       1.372600      0.2274000    
 C    5.103600     -0.9770000       1.107900    
 C    5.094100     -0.5561000      -1.376900    
 C    3.693000       1.454500      0.2470000    
 C    3.567400     -0.8885000       1.132500    
 C    3.557800     -0.4664000      -1.359400    
 C    5.698300      0.4197000       1.335700    
 C    5.688600      0.8385000      -1.136300    
 C    5.559100      -1.506800     -0.2616000    
 C    1.551000      0.1446000      3.3700000E-02
 C   0.9271000       1.374300      0.2446000    
 C   0.7820000      -1.003700     -0.1571000    
 C  -0.4652000       1.455800      0.2647000    
 C  -0.6104000     -0.9222000     -0.1372000    
 C   -1.234100      0.3076000      7.3600002E-02
 C   -3.554400     -0.6465000     -7.7699997E-02
 C   -4.982600     -0.2371000     -3.1399999E-02
 C   -5.939100      -1.139200      0.3650000    
 C   -5.337600       1.036600     -0.3839000    
 C   -7.266800     -0.7273000      0.3984000    
 C   -7.550800      0.5772000      2.7600000E-02
 H    5.653800       2.368900      0.3945000    
 H    5.445100      -1.655700       1.897500    
 H    5.428800     -0.9364000      -2.348500    
 H    3.395500       1.870700       1.219300    
 H    3.389000       2.167200     -0.5319000    
 H    3.157200      -1.900000       1.018400    
 H    3.234000     -0.5317000       2.116500    
 H    3.217500      0.1940000      -2.168600    
 H    3.147200      -1.459500      -1.581700    
 H    5.391800      0.8032000       2.316600    
 H    6.793800      0.3645000       1.343900    
 H    6.783900      0.7905000      -1.170500    
 H    5.375300       1.523200      -1.933800    
 H    5.151200      -2.511000     -0.4302000    
 H    6.651900      -1.600100     -0.2816000    
 H    1.452300       2.308700      0.4003000    
 H    1.242600      -1.973400     -0.3232000    
 H  -0.9387000       2.420500      0.4299000    
 H   -1.134900      -1.854300     -0.2927000    
 H   -2.980200       1.321100      0.2931000    
 H   -5.690400      -2.155000      0.6560000    
 H   -4.638800       1.784200     -0.7408000    
 H   -8.054500      -1.405500      0.7062000    
 H   -8.570500      0.9477000      3.7000000E-02


%chk=000064417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064417

0 1
O -3.369838 -1.871936 -0.237159
N -2.699101 0.345575 0.155662
N -6.818326 1.558160 -0.155205
C 3.131149 0.108721 0.032692
C 5.351994 1.384217 0.144811
C 5.202204 -0.940968 1.133097
C 5.146946 -0.623374 -1.382163
C 3.804811 1.503769 0.197331
C 3.655310 -0.816370 1.184656
C 3.601280 -0.495075 -1.335295
C 5.840632 0.463865 1.295085
C 5.784935 0.780485 -1.218627
C 5.626922 -1.548948 -0.231475
C 1.594319 0.181116 0.074727
C 0.883416 1.386902 0.308853
C 0.817485 -0.993124 -0.122785
C -0.524995 1.417107 0.336555
C -0.590266 -0.987752 -0.102341
C -1.278033 0.233712 0.126932
C -3.652978 -0.647326 -0.046108
C -5.089361 -0.182653 -0.012920
C -6.093773 -1.170436 0.154997
C -5.512572 1.163057 -0.182966
C -7.447263 -0.781615 0.181887
C -7.763390 0.590222 0.035888
H 5.794711 2.393358 0.262605
H 5.539403 -1.601731 1.956443
H 5.444639 -1.056919 -2.357610
H 3.506749 1.954113 1.166234
H 3.458311 2.186802 -0.604999
H 3.193987 -1.819929 1.099191
H 3.336449 -0.397101 2.160115
H 3.244709 0.153326 -2.160697
H 3.141311 -1.490644 -1.488041
H 5.560323 0.897302 2.276337
H 6.946156 0.384578 1.274885
H 6.889981 0.706493 -1.266438
H 5.464250 1.442809 -2.048014
H 5.189478 -2.561023 -0.350260
H 6.728996 -1.662577 -0.270636
H 1.425333 2.322925 0.469197
H 1.320510 -1.950519 -0.302212
H -1.041616 2.369740 0.516623
H -1.162081 -1.903616 -0.259722
H -3.050205 1.280736 0.373482
H -5.783510 -2.215699 0.251727
H -4.799171 1.973682 -0.384343
H -8.245128 -1.518990 0.312443
H -8.802294 0.937351 0.063162


