%chk=000148655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148655

0 1
 O    2.580600      -1.352800      0.7528000    
 O    2.655000       1.421000      0.7396000    
 O   -2.283200      -2.514200      0.1316000    
 O   -4.709800      -2.248900     -0.8296000    
 O    4.990800      -1.071800     -0.6458000    
 O   -5.839600     -0.5218000      0.1556000    
 N   -2.167700       1.562600      0.1120000    
 C  -0.9514000      0.8590000      0.2753000    
 C  -0.9590000     -0.5550000      0.2859000    
 C   -2.140700       3.023000      0.1032000    
 C   0.2932000       1.495400      0.4314000    
 C   -3.346700      0.8544000     -3.6400001E-02
 C   0.2224000      -1.292100      0.4454000    
 C   -2.241700      -1.290200      0.1253000    
 C    1.472200      0.7600000      0.5905000    
 C    1.436700     -0.6302000      0.5977000    
 C   -3.471100     -0.4774000     -4.1800000E-02
 C   -1.948300       3.533300      -1.312000    
 C    2.932400      -2.245000     -0.3031000    
 C   -4.805800      -1.052700     -0.2112000    
 C    3.053900       2.282100     -0.3245000    
 C    4.443200      -2.356200     -0.3742000    
 C    4.374400       2.929700      3.3900000E-02
 C    6.409900      -1.112300     -0.7017000    
 H   -1.412600       3.454400      0.7972000    
 H   -3.105000       3.403400      0.4675000    
 H   0.3723000       2.577100      0.4406000    
 H   -4.209300       1.502000     -0.1615000    
 H   0.1976000      -2.378700      0.4602000    
 H   -1.970600       4.627600      -1.325800    
 H   -2.740100       3.171700      -1.976800    
 H  -0.9895000       3.210500      -1.730000    
 H    2.553800      -1.867000      -1.261600    
 H    2.491100      -3.227400     -0.1039000    
 H    2.312700       3.069900     -0.4947000    
 H    3.165900       1.696500      -1.244600    
 H    4.730300      -3.058300      -1.164600    
 H    4.833000      -2.711700      0.5867000    
 H    4.715300       3.592400     -0.7665000    
 H    4.281100       3.509900      0.9579000    
 H    5.140900       2.168200      0.2121000    
 H   -5.587300      -2.667300     -0.9611000    
 H    6.822900      -1.435600      0.2587000    
 H    6.743700      -1.781300      -1.500800    
 H    6.774300     -0.1040000     -0.9159000    


%chk=000148655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148655

0 1
O 2.799016 -0.683060 0.151865
O 2.428061 2.098701 0.620421
O -1.930278 -2.503186 -0.628623
O -4.716865 -2.576342 -0.766013
O 5.154157 -1.706278 -1.214834
O -5.850627 -0.599445 -0.378710
N -2.391636 1.571410 0.267126
C -1.084696 1.019245 0.192009
C -0.946403 -0.368059 -0.106823
C -2.603697 3.021065 0.533839
C 0.075983 1.810129 0.396907
C -3.478813 0.772921 0.035603
C 0.350626 -0.935098 -0.150769
C -2.115417 -1.269850 -0.362154
C 1.360114 1.241076 0.343559
C 1.499651 -0.168859 0.093356
C -3.420837 -0.589674 -0.268668
C -2.434965 3.893881 -0.726524
C 2.990048 -2.096338 -0.216637
C -4.748500 -1.217323 -0.466423
C 3.628779 2.074104 -0.277910
C 4.476011 -2.392682 -0.115219
C 4.587473 3.125086 0.272618
C 6.599449 -1.925828 -1.193462
H -1.909822 3.336652 1.332032
H -3.625145 3.132721 0.936043
H 0.029095 2.883254 0.594981
H -4.463545 1.247481 0.099203
H 0.388967 -2.008186 -0.364874
H -2.601473 4.955954 -0.471818
H -3.166710 3.606767 -1.501519
H -1.423816 3.797444 -1.156956
H 2.631254 -2.268010 -1.249992
H 2.422907 -2.744696 0.481504
H 3.291052 2.325921 -1.303151
H 4.065765 1.062608 -0.281159
H 4.629910 -3.493322 -0.189264
H 4.867160 -2.046752 0.866478
H 5.495552 3.169360 -0.356299
H 4.118865 4.124394 0.283293
H 4.889374 2.871264 1.303297
H -5.661004 -2.878775 -0.875289
H 7.056949 -1.543012 -0.256222
H 6.850678 -3.003190 -1.299229
H 7.007555 -1.371272 -2.052593


