%chk=000177933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177933

0 1
 O   -1.193600      0.2638000      -1.269300    
 O   -3.386700       1.432800       1.584600    
 N    3.783400      7.1400002E-02 -0.7658000    
 N   0.2975000      -1.064500     -7.5900003E-02
 N   -3.307400     -0.4839000      0.2200000    
 C    2.554800     -0.1483000      4.6999998E-02
 C    2.949500      -1.083700       1.196700    
 C    2.120600       1.245100      0.5259000    
 C    4.836000     -0.7880000     -0.2082000    
 C    4.131700       1.497600     -0.6748000    
 C    4.463200     -0.9811000       1.250500    
 C    2.802500       2.187400     -0.4473000    
 C    1.474000     -0.7795000     -0.8365000    
 C  -0.9571000     -0.5175000     -0.3514000    
 C   -2.024000      -1.042700      0.5856000    
 C   -4.103600      -1.049900     -0.8431000    
 C   -5.459900     -0.4056000     -0.6375000    
 C   -5.131500      0.9522000     -2.8400000E-02
 C   -3.849400      0.6944000      0.7280000    
 H    2.686000      -2.126100      0.9767000    
 H    2.491900     -0.8185000       2.155100    
 H    2.496900       1.449400       1.536600    
 H    1.039600       1.409200      0.5401000    
 H    5.846400     -0.3855000     -0.3380000    
 H    4.804800      -1.754000     -0.7271000    
 H    4.618900       1.844500      -1.591100    
 H    4.798200       1.711000      0.1708000    
 H    4.764600     -0.1133000       1.848600    
 H    4.922500      -1.874100       1.684200    
 H    2.232600       2.256000      -1.381500    
 H    2.918300       3.194800     -3.7099998E-02
 H    1.819400      -1.733500      -1.253200    
 H    1.226700     -0.1303000      -1.684600    
 H   0.3698000      -1.746900      0.6733000    
 H   -1.773700     -0.7252000       1.603400    
 H   -2.073900      -2.134600      0.5425000    
 H   -4.149100      -2.139300     -0.7571000    
 H   -3.663300     -0.7685000      -1.804700    
 H   -6.045100     -0.9941000      8.0399998E-02
 H   -6.039900     -0.3304000      -1.561400    
 H   -5.920600       1.298900      0.6430000    
 H   -4.938300       1.701700     -0.8022000    


%chk=000177933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177933

0 1
O -0.481106 -1.142162 -2.754483
O -1.747187 -1.755579 1.677490
N 3.567903 -0.032959 -0.190244
N 0.140924 -1.706869 -0.562001
N -2.819367 -0.921702 -0.242079
C 2.057294 -0.117837 -0.048999
C 1.780064 -0.108466 1.491836
C 1.517646 1.130659 -0.806463
C 4.167844 -0.051543 1.174596
C 3.919097 1.140755 -1.047507
C 3.061125 0.505173 2.111580
C 2.626753 1.433240 -1.843484
C 1.580017 -1.439180 -0.721555
C -0.769679 -1.539438 -1.581446
C -2.225306 -1.892041 -1.175090
C -3.621598 0.245078 -0.673245
C -4.242397 0.753336 0.661697
C -3.267311 0.250902 1.760018
C -2.531375 -0.926157 1.110687
H 1.644130 -1.141010 1.869590
H 0.864214 0.453698 1.743171
H 1.413799 1.981382 -0.104043
H 0.536880 0.945710 -1.275957
H 5.099389 0.542854 1.192618
H 4.427073 -1.088302 1.468322
H 4.777800 0.910357 -1.704735
H 4.192810 2.031521 -0.431330
H 3.034059 1.610568 2.050341
H 3.202346 0.225340 3.170846
H 2.537495 0.749516 -2.706865
H 2.594229 2.468617 -2.224319
H 2.157900 -2.276609 -0.288004
H 1.791899 -1.400948 -1.803126
H -0.233872 -1.972763 0.363294
H -2.242313 -2.883946 -0.686315
H -2.830203 -1.925645 -2.094581
H -4.386041 -0.060828 -1.409341
H -2.973785 1.007498 -1.150318
H -5.237946 0.298718 0.804608
H -4.364730 1.848474 0.663599
H -3.766990 -0.074050 2.686885
H -2.518782 1.015839 2.041155


