%chk=000178144.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178144

0 1
 O    3.251900      0.4205000     -0.6840000    
 O    3.283100      -1.790600     -4.4399999E-02
 N   -2.853000     -0.3496000      0.4275000    
 N   -5.143400       2.566400     -2.8899999E-02
 N    6.820300      0.7305000      0.1963000    
 C   -1.485500     -0.2415000      0.3105000    
 C   -3.250800      -1.630600      0.1531000    
 C   -1.003300      -1.501200     -5.1100001E-02
 C   -3.741300      0.7361000      0.7897000    
 C   -2.128100      -2.367500     -0.1467000    
 C   -4.234600       1.501600     -0.4347000    
 C  -0.6473000      0.8637000      0.4952000    
 C   0.3833000      -1.668500     -0.2380000    
 C   -4.671600      -2.037100      0.2007000    
 C   -2.097800      -3.801400     -0.5040000    
 C    1.233900     -0.5719000     -5.6600001E-02
 C   0.7244000      0.6738000      0.3044000    
 C   -5.608200       3.320400      -1.194700    
 C   -6.283700       2.018500      0.7082000    
 C    2.666500     -0.7367000     -0.2480000    
 C    4.665000      0.3846000     -0.9112000    
 C    5.376700      0.7702000      0.3758000    
 C    7.236000       1.649000     -0.8665000    
 C    7.507300       1.061200       1.447200    
 H   -4.547700      0.2836000       1.372800    
 H   -3.206100       1.399600       1.479200    
 H   -3.369800       1.934300     -0.9541000    
 H   -4.716200      0.8184000      -1.146400    
 H   -1.032100       1.838400      0.7748000    
 H   0.7825000      -2.638000     -0.5231000    
 H   -5.048000      -2.014900       1.228700    
 H   -4.807000      -3.057200     -0.1731000    
 H   -5.297800      -1.385900     -0.4164000    
 H   -2.618800      -4.399100      0.2514000    
 H   -1.076600      -4.186800     -0.5787000    
 H   -2.587800      -3.964700      -1.469500    
 H    1.379000       1.528600      0.4597000    
 H   -6.241200       4.159300     -0.8845000    
 H   -6.178900       2.695000      -1.891000    
 H   -4.759500       3.753700      -1.735900    
 H   -6.006600       1.710200       1.720800    
 H   -6.757500       1.178800      0.1867000    
 H   -7.049600       2.790400      0.8538000    
 H    4.838400       1.110200      -1.711000    
 H    4.983200     -0.5958000      -1.286200    
 H    5.030900       1.759300      0.7059000    
 H    5.079400      6.9700003E-02   1.166600    
 H    6.841800       2.661600     -0.7225000    
 H    8.330100       1.720300     -0.9015000    
 H    6.946000       1.285200      -1.857000    
 H    8.592700      0.9733000       1.326100    
 H    7.277900       2.077400       1.788300    
 H    7.223600      0.3587000       2.238900    


%chk=000178144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178144

0 1
O 3.219802 0.870539 -0.711423
O 3.201467 -1.461080 -0.840793
N -2.936374 -0.287929 0.608883
N -5.413274 2.463350 -0.285884
N 6.953026 0.812875 -0.077981
C -1.588449 -0.083145 0.310125
C -3.206387 -1.684951 0.577895
C -0.987892 -1.376772 0.100927
C -3.919505 0.781418 0.822305
C -2.029080 -2.375916 0.273711
C -4.486061 1.334522 -0.511836
C -0.842970 1.115335 0.211451
C 0.386543 -1.455532 -0.208901
C -4.584499 -2.208493 0.865458
C -1.835536 -3.864746 0.148367
C 1.141350 -0.261113 -0.308816
C 0.524138 1.013942 -0.097778
C -5.543755 3.338586 -1.470414
C -6.732288 2.041276 0.229780
C 2.584264 -0.381869 -0.638158
C 4.670465 0.850243 -1.045909
C 5.521678 0.560818 0.206607
C 7.332100 2.232690 0.058682
C 7.869866 -0.082615 0.654090
H -4.732371 0.390015 1.457043
H -3.446875 1.612534 1.374994
H -3.638158 1.697344 -1.121276
H -4.962111 0.497328 -1.085276
H -1.304305 2.095769 0.370700
H 0.890353 -2.413393 -0.375914
H -4.903062 -1.999817 1.905910
H -4.608851 -3.301381 0.728339
H -5.346893 -1.771350 0.191555
H -2.780051 -4.419017 0.285527
H -1.116679 -4.243627 0.900347
H -1.432630 -4.135299 -0.846449
H 1.140320 1.912491 -0.183964
H -6.163916 4.216428 -1.214419
H -6.013094 2.830823 -2.350401
H -4.547584 3.703492 -1.776507
H -6.621708 1.492058 1.180574
H -7.291552 1.386441 -0.486791
H -7.350717 2.933482 0.432158
H 4.864382 1.857638 -1.447290
H 4.862637 0.086550 -1.817880
H 5.140798 1.176075 1.058533
H 5.387793 -0.500318 0.478042
H 7.286289 2.597962 1.116661
H 8.362635 2.381210 -0.311373
H 6.663849 2.869251 -0.547170
H 8.905304 0.083622 0.304447
H 7.855106 0.070484 1.763285
H 7.606560 -1.134728 0.448809


