%chk=000013954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013954

0 1
 O   -2.402700       1.988000     -0.2177000    
 O   0.2030000      -1.685700      0.8731000    
 O    1.990000       2.327600     -0.7547000    
 N   -1.114300      7.1099997E-02  0.1336000    
 N    1.267100      0.2659000      0.1142000    
 C   -2.288200     -0.7956000      5.0099999E-02
 C   -3.244400     -0.4903000       1.208500    
 C   -2.981200     -0.6051000      -1.303500    
 C   -4.520600      -1.324500       1.111300    
 C   -4.257400      -1.439800      -1.397500    
 C   -5.207600      -1.147200     -0.2397000    
 C   -1.326400       1.455500      4.8099998E-02
 C  -9.9399999E-02   2.250700      0.4283000    
 C   0.1344000     -0.5476000      0.3977000    
 C    1.168200       1.649500     -0.1393000    
 C  -0.2473000       3.721600      4.5699999E-02
 C    2.571700     -0.3548000      2.5000000E-02
 C    3.707800      0.3891000      0.3204000    
 C    2.674000      -1.687800     -0.3542000    
 C    4.965100     -0.2089000      0.2349000    
 C    3.931400      -2.285700     -0.4395000    
 C    5.076900      -1.546200     -0.1449000    
 H   -1.983400      -1.846800      0.1220000    
 H   -3.538100      0.5629000       1.250800    
 H   -2.745900     -0.7032000       2.162500    
 H   -2.297000     -0.9027000      -2.108400    
 H   -3.261800      0.4276000      -1.519000    
 H   -5.208900      -1.041800       1.915900    
 H   -4.275500      -2.383500       1.259500    
 H   -3.996600      -2.505400      -1.394500    
 H   -4.761700      -1.239100      -2.349600    
 H   -6.078200      -1.809800     -0.3006000    
 H   -5.581000     -0.1193000     -0.3261000    
 H  -1.3200000E-02   2.196900       1.522600    
 H   -1.127500       4.166900      0.5219000    
 H   0.6287000       4.300700      0.3574000    
 H  -0.3589000       3.839300      -1.038100    
 H    3.665100       1.415700      0.6703000    
 H    1.821500      -2.287200     -0.6558000    
 H    5.856700      0.3632000      0.4750000    
 H    4.020400      -3.323000     -0.7490000    
 H    6.055900      -2.011700     -0.2121000    


%chk=000013954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013954

0 1
O -2.416855 2.142324 -0.218659
O 0.205501 -1.676560 0.440368
O 2.323522 2.411107 -0.345642
N -1.147310 0.217976 0.152848
N 1.283287 0.364102 0.083025
C -2.366843 -0.676108 0.150462
C -3.341790 -0.340733 1.304591
C -3.073157 -0.688045 -1.227968
C -4.506015 -1.362912 1.310095
C -4.242144 -1.703708 -1.206283
C -5.232475 -1.399174 -0.056098
C -1.297805 1.614370 0.016404
C -0.047986 2.469827 0.256088
C 0.114389 -0.437045 0.255647
C 1.280144 1.778159 -0.053793
C -0.151580 3.843292 -0.438317
C 2.564873 -0.338272 0.010878
C 3.508041 -0.157895 1.043769
C 2.847260 -1.171154 -1.091700
C 4.751479 -0.822392 0.971035
C 4.089762 -1.837908 -1.155956
C 5.043640 -1.664491 -0.126512
H -1.956827 -1.685495 0.334387
H -3.744127 0.679485 1.174117
H -2.800541 -0.373252 2.269914
H -2.345323 -0.961250 -2.016428
H -3.457792 0.321415 -1.456935
H -5.218398 -1.105319 2.116914
H -4.110793 -2.373851 1.541265
H -3.840345 -2.730371 -1.079262
H -4.766440 -1.683417 -2.180716
H -6.039200 -2.156977 -0.037769
H -5.714167 -0.416988 -0.238958
H -0.029134 2.643267 1.357232
H -1.069953 4.357839 -0.116577
H 0.730228 4.453921 -0.189663
H -0.190471 3.724418 -1.534389
H 3.275112 0.498347 1.888548
H 2.102577 -1.302930 -1.883205
H 5.488314 -0.683364 1.769246
H 4.312038 -2.489347 -2.007758
H 6.008004 -2.181390 -0.179644


