%chk=000160232.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160232

0 1
 O   -5.445200      0.8262000      -1.234500    
 O    2.877700      -2.286900     -0.3791000    
 O    5.178800      -1.241500      0.3676000    
 O    5.451500      0.8882000     -0.4201000    
 N   -3.049400     -0.4037000      0.1813000    
 N  -0.9149000      0.4963000      0.2599000    
 N    1.328700       1.404500      0.3356000    
 N   -1.274200      -1.853500     -0.1430000    
 C   -5.162500      0.6408000      0.1484000    
 C   -5.343100     -0.8260000      0.5042000    
 C   -3.679500      0.8958000      0.4221000    
 C   -4.038300      -1.467600      3.0099999E-02
 C   -1.686900     -0.5973000      9.5399998E-02
 C   0.4280000      0.3195000      0.1774000    
 C   0.9520000     -0.9537000     -6.8300001E-02
 C   6.0800001E-02  -2.003100     -0.2205000    
 C   0.7320000       2.709200      0.5902000    
 C    2.690200       1.192500      0.2471000    
 C    2.413600      -1.175000     -0.1628000    
 C    3.284000      1.5100000E-02  1.5900001E-02
 C   0.4518000       3.452400     -0.6997000    
 C    4.744700     -3.2200001E-02 -4.7200002E-02
 H   -5.810000       1.308600      0.7238000    
 H   -6.211400      -1.291800      2.8999999E-02
 H   -5.432300     -0.9374000       1.591500    
 H   -3.279300       1.668200     -0.2436000    
 H   -3.521900       1.185700       1.466800    
 H   -3.803200      -2.348400      0.6371000    
 H   -4.109500      -1.765700      -1.022100    
 H   -6.382700      0.6079000      -1.372000    
 H   0.3918000      -3.018100     -0.4129000    
 H  -0.1801000       2.638700       1.195800    
 H    1.422200       3.313800       1.193300    
 H    3.264600       2.102800      0.3884000    
 H    1.367600       3.590500      -1.284100    
 H  -0.2642000       2.909400      -1.325400    
 H   3.3399999E-02   4.441000     -0.4864000    
 H    6.156900      -1.311600      0.3390000    


%chk=000160232-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160232

0 1
O -5.456502 0.945131 -1.248597
O 2.896895 -2.460726 -0.304364
O 5.386507 -1.210187 -0.122411
O 5.413578 1.074951 0.231342
N -3.077357 -0.403971 0.189967
N -0.916444 0.494022 0.293114
N 1.284577 1.360032 0.390044
N -1.298681 -1.908749 -0.105969
C -5.195391 0.676185 0.179530
C -5.375638 -0.823262 0.526335
C -3.690633 0.929649 0.383184
C -4.079899 -1.480865 0.000233
C -1.731502 -0.603356 0.124215
C 0.419948 0.259460 0.221034
C 0.986238 -1.028930 -0.009822
C 0.039082 -2.081582 -0.162498
C 0.729042 2.730682 0.579723
C 2.643736 1.163923 0.316777
C 2.449103 -1.288710 -0.091531
C 3.266491 -0.062835 0.097426
C 0.443604 3.433531 -0.761052
C 4.749639 0.008928 0.078488
H -5.816512 1.338289 0.814329
H -6.284312 -1.259011 0.075977
H -5.445353 -0.941043 1.623948
H -3.314372 1.654334 -0.358352
H -3.466363 1.319725 1.393885
H -3.778472 -2.385518 0.550988
H -4.156348 -1.742339 -1.071987
H -6.391896 0.697130 -1.461153
H 0.411155 -3.096324 -0.339161
H -0.202540 2.626019 1.157757
H 1.459312 3.301525 1.179762
H 3.271793 2.051359 0.448081
H 1.360667 3.531320 -1.368763
H -0.306651 2.870489 -1.341233
H 0.045513 4.447178 -0.574216
H 6.369687 -1.042854 -0.116832


