%chk=000154985.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154985

0 1
 O  -0.2784000      -1.919400      0.2812000    
 N   0.3076000     -0.7827000      0.2470000    
 N  -0.2779000      0.3563000      0.2699000    
 C    4.516300     -0.6820000      8.4500000E-02
 C    1.762400     -0.7481000      0.1907000    
 C   -4.443000      0.4294000      0.4461000    
 C    3.771100      0.3472000     -0.4911000    
 C    3.867800      -1.744600      0.7136000    
 C   -1.675100      0.3804000      0.3290000    
 C    2.377700      0.3138000     -0.4374000    
 C    2.474300      -1.778100      0.7674000    
 C    5.969200     -0.6476000      2.8500000E-02
 C   -3.816400      0.4151000     -0.7894000    
 C   -3.714100      0.4198000       1.624300    
 C   -2.423000      0.3906000     -0.8484000    
 C   -2.320700      0.3951000       1.565400    
 C   -5.915000      0.4556000      0.5085000    
 C    8.188300      0.4990000     -0.2301000    
 C    6.715600      0.4602000     -0.1925000    
 C   -8.198100      9.6799999E-02 -0.4290000    
 C   -6.745400      8.9299999E-02 -0.4966000    
 C    8.893300     -0.6735000     -0.4470000    
 C    8.838500       1.708800     -4.9300000E-02
 C   -8.848700      0.8694000      0.5330000    
 C   -8.940900     -0.6679000      -1.328500    
 C    10.28710     -0.6352000     -0.4844000    
 C    10.23230       1.747000     -8.6599998E-02
 C   -10.24210      0.8774000      0.5954000    
 C   -10.33440     -0.6598000      -1.266000    
 C    10.95670      0.5751000     -0.3043000    
 C   -10.98500      0.1128000     -0.3041000    
 H    4.229400       1.181700      -1.013500    
 H    4.431200      -2.554700       1.170700    
 H    1.819100       1.117500     -0.9077000    
 H    1.986300      -2.608500       1.268200    
 H    6.447000      -1.605000      0.2173000    
 H   -4.356000      0.4455000      -1.730400    
 H   -4.201800      0.4295000       2.595400    
 H   -1.928000      0.3848000      -1.816100    
 H   -1.746400      0.3874000       2.488100    
 H   -6.312500      0.7720000       1.469100    
 H    6.243300       1.429400     -0.3278000    
 H   -6.343300     -0.2782000      -1.436700    
 H    8.414800      -1.632900     -0.6152000    
 H    8.289100       2.630600      0.1225000    
 H   -8.315200       1.498100       1.239500    
 H   -8.452300      -1.277500      -2.084800    
 H    10.85160      -1.546500     -0.6592000    
 H    10.75380       2.689300      5.3700000E-02
 H   -10.74950       1.482900       1.340800    
 H   -10.91310      -1.255100      -1.966200    
 H    12.04200      0.6051000     -0.3346000    
 H   -12.07010      0.1201000     -0.2563000    


%chk=000154985-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154985

0 1
O -0.092159 -2.120975 -0.998904
N 0.384109 -0.980470 -0.519273
N -0.314391 0.063969 -0.086385
C 4.672369 -0.628969 -0.327253
C 1.840034 -0.836323 -0.447876
C -4.571702 0.431126 0.086832
C 3.834397 0.442068 0.113003
C 4.035523 -1.801797 -0.830875
C -1.721198 0.055931 -0.087884
C 2.436414 0.346727 0.056400
C 2.636016 -1.914286 -0.894497
C 6.138925 -0.583671 -0.285777
C -4.008775 -0.782858 -0.412182
C -3.662533 1.456612 0.494708
C -2.623471 -0.981665 -0.505237
C -2.278368 1.276593 0.411605
C -6.011221 0.676318 0.202694
C 8.382808 0.501713 0.218593
C 6.913970 0.452300 0.171258
C -8.466684 0.048107 -0.010071
C -7.021889 -0.193375 -0.127542
C 9.221827 -0.564989 -0.223085
C 9.010203 1.674213 0.733349
C -9.025630 1.270022 0.472202
C -9.366363 -0.989181 -0.396327
C 10.623786 -0.458255 -0.150223
C 10.414247 1.781632 0.806503
C -10.420238 1.440074 0.562892
C -10.763048 -0.819257 -0.305489
C 11.229929 0.714584 0.364640
C -11.298779 0.397826 0.175343
H 4.281047 1.361471 0.505244
H 4.656034 -2.637454 -1.175968
H 1.792606 1.161759 0.392700
H 2.143485 -2.810749 -1.278254
H 6.637186 -1.487142 -0.664373
H -4.669096 -1.594196 -0.737268
H -4.063560 2.401198 0.881899
H -2.218628 -1.916609 -0.890894
H -1.584204 2.061837 0.726992
H -6.278351 1.665891 0.600081
H 6.413919 1.355057 0.550636
H -6.753411 -1.183894 -0.521935
H 8.777497 -1.482103 -0.625116
H 8.382629 2.505753 1.078217
H -8.367534 2.091016 0.777147
H -8.957038 -1.936128 -0.770452
H 11.250401 -1.288798 -0.494423
H 10.871826 2.693188 1.206530
H -10.828950 2.386018 0.936014
H -11.432524 -1.631971 -0.608346
H 12.321228 0.792909 0.419427
H -12.383268 0.534904 0.247598


