%chk=000154672.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154672

0 1
 O  -0.1502000      -1.042800     -7.1900003E-02
 O    2.095800      -3.657000       1.110500    
 O    1.714200      0.6514000      -2.714000    
 N    2.383400      0.1589000     -0.7706000    
 N    2.713500      0.5073000      -1.999500    
 C    1.074900      -1.597900      0.4149000    
 C    2.177000      -1.289000     -0.6012000    
 C    3.342800      0.6383000      0.2172000    
 C    3.027200       2.081500      0.6066000    
 C   0.8715000      -3.093000      0.6506000    
 C    1.617900       2.201400       1.187800    
 C   -1.078600     -0.8469000      0.9817000    
 C    1.309000       3.628700       1.610800    
 C   -2.342000     -0.2648000      0.4193000    
 C   -2.494500       1.119100      0.3335000    
 C   -3.364100      -1.107400     -1.8100001E-02
 C   -3.668800       1.660400     -0.1895000    
 C   -4.538400     -0.5661000     -0.5412000    
 C   -4.690700      0.8179000     -0.6268000    
 H    1.350000      -1.129000       1.369200    
 H    3.118400      -1.794100     -0.3458000    
 H    1.851900      -1.731700      -1.555500    
 H    3.301600      4.5000002E-02   1.140800    
 H    4.380100      0.5588000     -0.1377000    
 H    3.135100       2.747800     -0.2582000    
 H    3.760000       2.413600       1.352300    
 H   0.1067000      -3.299200       1.403000    
 H   0.5715000      -3.596500     -0.2750000    
 H   0.8664000       1.895400      0.4523000    
 H    1.513000       1.540400       2.056100    
 H  -0.6605000     -0.1636000       1.731700    
 H   -1.319600      -1.784100       1.493400    
 H    2.010800       3.971200       2.378000    
 H   0.2972000       3.690800       2.023700    
 H    1.370500       4.312400      0.7581000    
 H    1.940900      -4.608700       1.236600    
 H   -1.706000       1.786600      0.6702000    
 H   -3.256200      -2.187300      4.1200001E-02
 H   -3.787400       2.737900     -0.2564000    
 H   -5.333900      -1.221900     -0.8825000    
 H   -5.605000       1.239300      -1.034300    


%chk=000154672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154672

0 1
O -0.110621 -1.315401 -0.198346
O 2.589684 -3.526474 1.070125
O 1.293492 0.438672 -2.739874
N 2.445414 0.189795 -0.811820
N 1.986740 1.016599 -1.818879
C 1.213929 -1.721032 0.275536
C 2.221503 -1.269522 -0.797789
C 3.305989 0.853650 0.202401
C 2.693967 2.148298 0.782055
C 1.273273 -3.247852 0.470550
C 1.375079 1.930395 1.555980
C -1.118947 -1.109797 0.845698
C 0.815827 3.244174 2.142027
C -2.263843 -0.293232 0.265827
C -2.114573 0.417383 -0.949988
C -3.492475 -0.220982 0.969713
C -3.184069 1.197954 -1.446982
C -4.556826 0.563760 0.473858
C -4.404626 1.277809 -0.738253
H 1.442746 -1.240584 1.252886
H 3.181529 -1.788049 -0.622866
H 1.822161 -1.538069 -1.793662
H 3.470733 0.115513 1.008283
H 4.292092 1.073547 -0.252666
H 2.525659 2.863676 -0.043349
H 3.448726 2.601015 1.456872
H 0.453245 -3.568604 1.145534
H 1.153618 -3.756630 -0.508334
H 0.623666 1.482425 0.877178
H 1.546856 1.202299 2.377427
H -0.655784 -0.568815 1.702741
H -1.497995 -2.082369 1.227897
H 1.536670 3.709782 2.840763
H -0.126879 3.069926 2.691963
H 0.604715 3.974194 1.338686
H 2.701889 -4.500686 1.197442
H -1.173573 0.339985 -1.503004
H -3.620408 -0.779460 1.906642
H -3.060773 1.741597 -2.390452
H -5.502050 0.613613 1.026448
H -5.230358 1.884596 -1.126967


