%chk=000052666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052666

0 1
 N   -3.121700     -3.7099998E-02 -0.2480000    
 N   -4.260400     -0.7047000      0.3210000    
 C  -0.2755000      0.8126000     -0.1302000    
 C    2.680300      0.3616000      0.2838000    
 C   0.3218000      0.3276000       1.216900    
 C   0.8153000       1.601700     -0.8965000    
 C    1.635100     -0.4422000       1.064300    
 C    2.122500      0.8274000      -1.064900    
 C  -0.7899000     -0.3676000     -0.9943000    
 C   -1.474400       1.759000      0.1327000    
 C    3.955100     -0.4570000      8.7499999E-02
 C   -2.052400      -1.025800     -0.4256000    
 C   -2.709900       1.030200      0.6705000    
 C    4.520200     -0.8744000       1.455600    
 C    3.641600      -1.717500     -0.7361000    
 C    5.004200      0.3858000     -0.6571000    
 C   -4.692800      -1.764200     -0.5895000    
 C   -5.319100      0.2845000      0.5100000    
 H    2.918200       1.258900      0.8734000    
 H  -0.3891000     -0.2989000       1.766000    
 H   0.5111000       1.198900       1.858800    
 H    1.032400       2.535200     -0.3593000    
 H   0.4449000       1.899000      -1.885900    
 H    1.402400      -1.400400      0.5951000    
 H    1.989900     -0.6644000       2.076400    
 H    2.825100       1.498400      -1.570000    
 H    1.927700     -1.7000000E-03  -1.749100    
 H  -1.9300001E-02  -1.135300      -1.122300    
 H   -1.018600     -6.0000003E-04  -2.005000    
 H   -1.748900       2.267600     -0.8022000    
 H   -1.186800       2.549800      0.8373000    
 H   -2.315600      -1.786600      -1.168600    
 H   -1.818400      -1.549800      0.5102000    
 H   -2.515600      0.6493000       1.681700    
 H   -3.464300       1.819900      0.7563000    
 H    3.905100      -1.630400       1.953900    
 H    5.516800      -1.318400       1.343900    
 H    4.621600     -1.3300000E-02   2.125500    
 H    3.282900      -1.507300      -1.746500    
 H    2.943000      -2.401800     -0.2490000    
 H    4.565200      -2.296500     -0.8722000    
 H    5.147300       1.360400     -0.1773000    
 H    5.976800     -0.1209000     -0.6603000    
 H    4.744900      0.5515000      -1.707600    
 H   -4.762500      -1.431600      -1.632700    
 H   -5.686300      -2.130800     -0.3010000    
 H   -4.055600      -2.653000     -0.5267000    
 H   -5.471400      0.9286000     -0.3653000    
 H   -5.162600      0.8994000       1.403200    
 H   -6.275600     -0.2175000      0.7053000    


%chk=000052666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052666

0 1
N -3.222249 0.035378 -0.255478
N -4.446047 -0.641940 0.372932
C -0.290252 0.811250 -0.119951
C 2.716674 0.275741 0.231754
C 0.331270 0.274895 1.203653
C 0.816337 1.592985 -0.883797
C 1.634020 -0.535644 0.995156
C 2.114813 0.782014 -1.107481
C -0.864970 -0.330600 -1.006929
C -1.474623 1.772029 0.174569
C 4.093969 -0.479791 0.074460
C -2.140496 -0.982765 -0.435245
C -2.729888 1.061872 0.719629
C 4.650630 -0.856824 1.476878
C 3.959761 -1.773753 -0.774518
C 5.131696 0.458041 -0.606260
C -4.869961 -1.790254 -0.475218
C -5.557484 0.352850 0.389710
H 2.936159 1.179395 0.848313
H -0.401140 -0.344452 1.755935
H 0.555571 1.146637 1.854993
H 1.064996 2.506987 -0.301849
H 0.414913 1.937900 -1.858781
H 1.406124 -1.467582 0.439898
H 2.014051 -0.847088 1.985933
H 2.843222 1.420919 -1.640716
H 1.905312 -0.080546 -1.771174
H -0.115929 -1.127976 -1.172002
H -1.110166 0.090037 -2.003107
H -1.752179 2.296049 -0.762553
H -1.161552 2.546458 0.903805
H -2.480054 -1.740727 -1.159797
H -1.928157 -1.506706 0.529088
H -2.533429 0.590369 1.711754
H -3.514915 1.822181 0.865572
H 4.031418 -1.622419 1.977529
H 5.674454 -1.266730 1.386147
H 4.698899 0.030400 2.137592
H 3.594592 -1.556283 -1.794943
H 3.267376 -2.498896 -0.309102
H 4.944460 -2.269429 -0.871234
H 5.218807 1.417428 -0.060351
H 6.130570 -0.017905 -0.615968
H 4.863325 0.684053 -1.653635
H -4.980203 -1.517087 -1.551686
H -5.844957 -2.141963 -0.096743
H -4.164202 -2.630938 -0.385919
H -5.735294 0.807423 -0.612344
H -5.357236 1.157288 1.114746
H -6.473334 -0.164682 0.722837


