%chk=000156830.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156830

0 1
 O    2.487400      0.3283000      -2.271600    
 O   -3.233700      0.1520000      0.2763000    
 O   -4.773200     -0.5068000      -1.303400    
 N    1.620700       1.187900      0.4125000    
 N   0.4298000      -2.079800     -0.3698000    
 N    2.017900      -1.247200       1.029600    
 N  -0.7678000       1.325500      0.4743000    
 N   0.5180000       3.191600      0.8999000    
 N    1.314300      -3.530200       1.227800    
 N   -5.433300      0.5458000      0.6313000    
 C    1.679900     -0.2110000     -1.7000001E-02
 C   0.3258000     -0.6588000     -0.6117000    
 C    2.871300     -0.1996000      -1.007800    
 C    3.842000      0.7547000     -0.3207000    
 C    2.924000       1.839700      0.2421000    
 C  -0.8604000     -0.1129000      0.2063000    
 C   0.4147000       1.853700      0.5923000    
 C    1.307600      -2.291800      0.6596000    
 C   -2.182600     -0.3575000     -0.5220000    
 C   -4.502300      1.6700000E-02 -0.2279000    
 H   0.2221000     -0.4262000      -1.675900    
 H    3.313300      -1.188300      -1.169700    
 H    4.589100       1.179300     -0.9980000    
 H    4.362100      0.2464000      0.4998000    
 H    3.305500       2.230800       1.190500    
 H    2.844000       2.661700     -0.4787000    
 H  -0.9245000     -0.6078000       1.185500    
 H  -0.2807000      -2.740400     -0.6618000    
 H   -2.334800      -1.430400     -0.6872000    
 H   -2.183300      0.1577000      -1.490700    
 H    3.288400      0.3828000      -2.820200    
 H    1.408800       3.650000       1.051300    
 H  -0.3144000       3.755000       1.036700    
 H    1.923600      -3.748200       2.008600    
 H   0.7200000      -4.274400      0.8791000    
 H   -5.159500      0.9693000       1.511500    
 H   -6.423700      0.5296000      0.4125000    


%chk=000156830-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156830

0 1
O 2.502341 0.359884 -2.235445
O -3.483095 0.324366 -0.130679
O -3.028949 -1.990218 -0.245282
N 1.738736 1.266846 0.428910
N -0.167903 -1.713616 -0.469987
N 1.533953 -1.157872 1.025069
N -0.543890 2.027957 0.103255
N 1.151728 3.555238 0.587231
N 0.324714 -3.195519 1.364255
N -4.875602 -1.132446 0.907148
C 1.497576 -0.112912 -0.054273
C 0.119712 -0.285426 -0.764545
C 2.738771 -0.353151 -0.965051
C 3.858227 0.312467 -0.139131
C 3.184877 1.606577 0.389084
C -0.965700 0.633369 -0.107654
C 0.734699 2.235821 0.369049
C 0.582268 -2.023099 0.681942
C -2.269225 0.620936 -0.947592
C -3.735358 -1.014134 0.147210
H 0.218663 -0.087092 -1.843472
H 2.897125 -1.432336 -1.142113
H 4.765541 0.525636 -0.731267
H 4.121050 -0.356626 0.697688
H 3.569157 1.876802 1.391833
H 3.352878 2.454822 -0.303472
H -1.196184 0.171854 0.880735
H -1.156363 -2.014790 -0.536286
H -2.229824 -0.115354 -1.770798
H -2.459397 1.632289 -1.332864
H 3.312897 0.285600 -2.798347
H 2.004068 3.761065 1.100440
H 0.402903 4.244428 0.581042
H 0.887836 -3.407132 2.181985
H -0.452015 -3.796827 1.107735
H -5.392336 -0.301239 1.184594
H -5.187777 -2.058968 1.182451


