%chk=000173309.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173309

1 1
 O    2.539100     -0.6220000       1.241600    
 O    1.737000      -1.709000      -2.084200    
 O    4.063500      -2.285100     -0.7985000    
 O    4.096100       1.604800       1.937500    
 O   -4.260700      4.4100001E-02  0.6701000    
 O  -2.6900001E-02   4.772800      -2.213600    
 N   0.2747000     -0.5814000      0.4714000    
 N   -1.309600      0.8205000      0.9798000    
 N   -1.152000      -2.472000     -0.2443000    
 N   -3.502000      -1.985900     -8.0499999E-02
 N   -2.709800      -4.068000     -0.8484000    
 C    1.608400      -1.146400      0.2745000    
 C    2.186800     -0.8128000      -1.089200    
 C    3.675300     -0.9117000     -0.8266000    
 C    3.793000     -0.3380000      0.5809000    
 C  -0.9215000      -1.210400      0.2273000    
 C   1.9700000E-02  0.6558000      0.9292000    
 C    4.011100       1.168600      0.5920000    
 C   -1.921700     -0.3294000      0.5479000    
 C   -1.972300       2.029200       1.423200    
 C   -2.231300       3.011300      0.2826000    
 C   -3.304600     -0.6797000      0.4072000    
 C  -0.9532000       3.415600     -0.4502000    
 C   -2.501700      -2.796800     -0.3752000    
 C   -1.237400       4.425900      -1.554600    
 H    1.548300      -2.229700      0.4358000    
 H    1.923000      0.2087000      -1.388300    
 H    4.284900     -0.4061000      -1.580900    
 H    4.575400     -0.8318000       1.168200    
 H   0.7569000       1.391300       1.209700    
 H    3.184300       1.708500      0.1198000    
 H    4.942200       1.435700      8.3600000E-02
 H   -2.908900       1.773100       1.928300    
 H   -1.335000       2.502800       2.180400    
 H   0.7703000      -1.623300      -2.142000    
 H    5.010800      -2.314100     -0.5805000    
 H  -0.4464000      -3.156500     -0.4967000    
 H   -2.723200       3.902900      0.6889000    
 H   -2.927200       2.557200     -0.4331000    
 H  -0.4686000       2.543400     -0.9034000    
 H  -0.2271000       3.836900      0.2557000    
 H    3.264200       1.360200       2.377900    
 H   -1.687200       5.339600      -1.153000    
 H   -1.919700       4.006500      -2.300500    
 H   -1.935300      -4.683100      -1.072400    
 H   -3.647300      -4.428300     -0.9891000    
 H   0.5686000       5.158300      -1.548500    


%chk=000173309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173309

1 1
O 2.540153 0.125566 0.952526
O 1.601744 -2.829300 -1.012862
O 3.984082 -2.744930 -0.124454
O 4.879004 1.931566 0.899652
O -4.367281 0.120456 0.317008
O -0.311633 5.081373 -1.880230
N 0.256342 -0.422464 0.682928
N -1.482089 0.873731 1.190306
N -1.006168 -2.202189 -0.554446
N -3.409581 -1.801386 -0.671737
N -2.472451 -3.693419 -1.661535
C 1.632701 -0.964591 0.658496
C 2.071270 -1.482636 -0.741976
C 3.623180 -1.410740 -0.625529
C 3.897763 -0.280876 0.407714
C -0.887904 -1.028259 0.150548
C -0.138626 0.741470 1.315917
C 4.558574 0.981915 -0.156112
C -1.982814 -0.219374 0.456911
C -2.300152 2.038703 1.648355
C -2.562017 3.039498 0.500202
C -3.357025 -0.588763 0.045877
C -1.287026 3.713749 -0.048947
C -2.331864 -2.534599 -0.949374
C -1.562891 4.581068 -1.295746
H 1.711457 -1.781696 1.406928
H 1.701445 -0.810323 -1.533736
H 4.100696 -1.215155 -1.602949
H 4.487085 -0.670107 1.258182
H 0.538797 1.419446 1.821790
H 3.918168 1.432119 -0.944362
H 5.533437 0.714599 -0.600465
H -3.255731 1.629162 2.013286
H -1.755350 2.513411 2.483324
H 2.344165 -3.445478 -0.733481
H 4.939260 -2.954568 -0.261294
H -0.150093 -2.740943 -0.818989
H -3.254840 3.802224 0.904614
H -3.116473 2.520153 -0.303825
H -0.537883 2.954900 -0.353155
H -0.815815 4.336991 0.739218
H 4.043591 2.294811 1.287896
H -2.262856 5.408236 -1.055567
H -2.020303 3.966516 -2.090457
H -1.695535 -4.302458 -1.908984
H -3.418076 -3.940218 -1.951374
H -0.017437 5.895007 -1.400291


