%chk=000150533.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150533

0 1
 O   -2.242000      -3.302400      0.2752000    
 O   -2.086000     -0.4998000       2.125600    
 N   0.6657000      0.4781000      0.5302000    
 N   -2.664700      6.5200001E-02 -4.7699999E-02
 N   -2.703900       2.859200     -0.7373000    
 N    3.859500      -1.821500     -0.9111000    
 C    1.519300      -1.630500     -0.2534000    
 C   0.4776000     -0.8221000      0.2323000    
 C  -0.7764000      -1.402500      0.4027000    
 C    2.776600      -1.041800     -0.4225000    
 C    2.977300      0.3076000     -0.1147000    
 C    1.878700       1.040200      0.3656000    
 C   -3.779700      0.9195000      0.2926000    
 C   -1.008600      -2.747400      0.1043000    
 C   -3.331600       2.361600      0.4800000    
 C    1.289100      -2.984200     -0.5546000    
 C   -1.885100     -0.5938000      0.9054000    
 C   2.6100000E-02  -3.540300     -0.3753000    
 C    4.230100      0.9251000     -0.2750000    
 C    2.072200       2.384200      0.6736000    
 C    4.397100       2.270200      4.0300000E-02
 C    3.315800       3.001000      0.5156000    
 C   -2.236000       4.234300     -0.5520000    
 C   -3.635500       2.788500      -1.864900    
 C   -3.135400      -3.248400     -0.8348000    
 H   -4.556500      0.7931000     -0.4667000    
 H   -4.212900      0.5625000       1.234400    
 H   -4.193900       2.976100      0.7692000    
 H   -2.610700       2.403900       1.306600    
 H    2.058400      -3.649600     -0.9314000    
 H  -0.1421000      -4.587400     -0.6105000    
 H   -2.431500     -3.9500002E-02  -1.030900    
 H    5.108200      0.4045000     -0.6416000    
 H    1.239700       2.978200       1.046900    
 H    3.748600      -2.796300      -1.143400    
 H    4.778100      -1.428200      -1.044800    
 H    5.365400       2.745500     -8.4200002E-02
 H    3.435100       4.051400      0.7643000    
 H   -1.514400       4.286800      0.2711000    
 H   -3.058600       4.925600     -0.3357000    
 H   -1.713100       4.587700      -1.447700    
 H   -4.598700       3.262100      -1.642300    
 H   -3.807100       1.760100      -2.196300    
 H   -3.211400       3.296900      -2.739600    
 H   -2.995200      -4.140800      -1.452200    
 H   -2.984200      -2.355700      -1.449500    
 H   -4.159700      -3.243900     -0.4525000    


%chk=000150533-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150533

0 1
O -1.985370 -4.160993 -0.099394
O -3.300681 -1.655052 0.771518
N 0.228797 0.236481 -0.390352
N -2.376256 0.208300 -0.284222
N -2.299825 3.242740 -0.327315
N 3.976211 -1.706198 0.081303
C 1.529782 -1.815122 0.013867
C 0.264846 -1.110048 -0.143372
C -1.009198 -1.828332 -0.041498
C 2.756214 -1.072944 -0.065048
C 2.704530 0.347010 -0.307680
C 1.396742 0.948829 -0.467425
C -3.551389 1.046996 -0.040821
C -0.951709 -3.243386 0.020947
C -3.177602 2.420286 0.548336
C 1.499527 -3.233701 0.230175
C -2.319577 -1.091394 0.162831
C 0.302837 -3.924492 0.214242
C 3.864801 1.185401 -0.406421
C 1.299723 2.360469 -0.719406
C 3.744397 2.553820 -0.653012
C 2.447688 3.145022 -0.810439
C -1.767694 4.413691 0.405653
C -2.957667 3.650190 -1.588394
C -3.219987 -3.874781 -0.852254
H -4.132075 1.176006 -0.977403
H -4.209217 0.512463 0.669205
H -4.129462 2.964318 0.789004
H -2.639597 2.256936 1.500629
H 2.421599 -3.807147 0.381186
H 0.261553 -5.012300 0.320014
H -1.443077 0.623377 -0.545298
H 4.873060 0.768409 -0.288463
H 0.288713 2.772658 -0.822047
H 4.036343 -2.704001 0.255577
H 4.845521 -1.186164 0.019652
H 4.640364 3.179686 -0.725008
H 2.365632 4.221145 -1.000729
H -1.204802 4.073213 1.292581
H -2.567343 5.118238 0.748913
H -1.076080 4.980092 -0.244532
H -3.875719 4.269944 -1.421115
H -3.243889 2.762939 -2.176863
H -2.250325 4.242086 -2.196374
H -3.004965 -3.205328 -1.706373
H -3.956051 -3.395038 -0.190841
H -3.555624 -4.861324 -1.210238


