%chk=000051045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051045

0 1
 O   -3.754200      -1.711800      -1.991100    
 O   -2.544700      0.5372000     -0.8910000    
 N  -0.3726000      -2.219600     -0.5855000    
 N    2.840700      0.4981000       1.830500    
 N   -3.382400      0.5312000       2.600000    
 C   8.1200004E-02  -2.933200      0.6215000    
 C    1.632100      -2.772600      0.7464000    
 C    2.150900      -1.398900      0.9071000    
 C  -0.6574000      -2.314500       1.816400    
 C  -0.3318000      -4.402600      0.4598000    
 C   -1.814200      -2.315500     -0.7150000    
 C    2.528900     -0.5081000     -0.1362000    
 C   -2.328400      -1.599000      -1.965900    
 C    2.353900     -0.7519000       2.104300    
 C    2.957900      0.6746000      0.4701000    
 C   -1.957000     -0.1184000      -2.010600    
 C    2.547400     -0.5946000      -1.542400    
 C    3.406300       1.779400     -0.2625000    
 C    2.993300      0.5026000      -2.288200    
 C    3.415800       1.670400      -1.655900    
 C   -1.868200       1.614500     -0.3842000    
 C   -1.948800       1.941600      0.9665000    
 C   -1.093500       2.382000      -1.249700    
 C   -1.249100       3.044800       1.455600    
 C  -0.3939000       3.485100     -0.7607000    
 C  -0.4718000       3.816500      0.5919000    
 C   -2.740600       1.162600       1.868700    
 H    2.109300      -3.238200     -0.1276000    
 H    1.969900      -3.373500       1.602900    
 H   7.6300003E-02  -2.612500      -1.412300    
 H  -0.6443000      -1.218800       1.795500    
 H   -1.696400      -2.647500       1.916100    
 H  -0.1683000      -2.618800       2.750400    
 H   0.1835000      -5.012700       1.212400    
 H   -1.399100      -4.589900      0.6154000    
 H  -4.1499998E-02  -4.805400     -0.5180000    
 H   -2.169200      -3.346900     -0.8080000    
 H   -2.351600      -1.877300      0.1315000    
 H   -1.946100      -2.096100      -2.864800    
 H    2.196200      -1.066400       3.126600    
 H    3.079100       1.191800       2.525800    
 H  -0.8639000     -3.1199999E-02  -2.031900    
 H   -2.374500      0.3306000      -2.919700    
 H    2.226500      -1.497400      -2.053900    
 H    3.734000       2.689300      0.2287000    
 H    3.009900      0.4415000      -3.373200    
 H   -4.104800      -1.220200      -1.228600    
 H    3.757200       2.510900      -2.254700    
 H   -1.029500       2.184600      -2.315400    
 H   -1.298700       3.316700       2.507400    
 H   0.2065000       4.090100      -1.433800    
 H   7.2499998E-02   4.675900      0.9722000    


%chk=000051045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051045

0 1
O -3.503946 -1.332630 -2.249476
O -2.210413 0.531505 -0.619961
N -0.358240 -2.638163 -0.623391
N 3.203913 0.376464 1.418642
N -4.860295 1.046337 1.598929
C 0.193869 -3.132524 0.677038
C 1.758845 -2.987118 0.596366
C 2.310676 -1.581423 0.621169
C -0.360454 -2.297442 1.853386
C -0.141519 -4.638697 0.903986
C -1.811736 -2.418635 -0.781326
C 2.495007 -0.658783 -0.490739
C -2.069562 -1.449122 -1.965279
C 2.764123 -0.911267 1.759350
C 3.052421 0.561088 0.041462
C -1.428928 -0.076930 -1.726744
C 2.263676 -0.740522 -1.890767
C 3.358963 1.677649 -0.768561
C 2.572124 0.365612 -2.707129
C 3.110332 1.566118 -2.151764
C -1.789566 1.739882 -0.081204
C -2.647660 2.300347 0.917593
C -0.597726 2.411360 -0.446296
C -2.296551 3.531213 1.531897
C -0.269341 3.633584 0.178729
C -1.111592 4.200037 1.164566
C -3.853932 1.613443 1.286434
H 2.097827 -3.509637 -0.322787
H 2.180437 -3.557992 1.446610
H 0.014689 -3.208200 -1.397538
H -0.271113 -1.217628 1.646406
H -1.418833 -2.534478 2.062485
H 0.213672 -2.521238 2.770766
H 0.213544 -4.991579 1.890605
H -1.233942 -4.802545 0.859220
H 0.332784 -5.269317 0.126731
H -2.405019 -3.341497 -0.969141
H -2.207001 -1.950454 0.135678
H -1.637051 -1.872418 -2.891747
H 2.805901 -1.260768 2.789743
H 3.579248 1.062409 2.069301
H -0.375077 -0.210217 -1.426440
H -1.517239 0.571444 -2.618776
H 1.844571 -1.652606 -2.327733
H 3.785256 2.594533 -0.345129
H 2.403228 0.307266 -3.788347
H -3.911004 -0.788205 -1.525332
H 3.343643 2.408290 -2.812964
H 0.076843 1.989415 -1.196309
H -2.963211 3.949965 2.292359
H 0.656621 4.142400 -0.110840
H -0.848459 5.150176 1.639169


