%chk=000026516.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026516

0 1
 O  -0.1550000       1.670700       1.119400    
 O   0.7127000      -2.571400     -0.5128000    
 O   -1.142100      0.7168000      -1.882600    
 O   -5.395300      0.6094000     -0.1217000    
 N  -6.9799997E-02 -0.5186000      0.2934000    
 N   -3.247500      0.6619000     -0.9561000    
 C    2.773600       1.362400      8.5199997E-02
 C    3.193500     -0.6832000     -0.7025000    
 C    1.930600      0.4564000       1.003300    
 C    2.220100     -0.9518000      0.4612000    
 C    2.693600      0.6492000      -1.267500    
 C    4.257900       1.153000      0.4404000    
 C    4.547800     -0.2584000     -0.1033000    
 C   0.4437000      0.6430000      0.8336000    
 C   0.8805000      -1.481400      1.6600000E-02
 C   -1.473200     -0.7098000      4.0899999E-02
 C   -2.287900     -0.5605000       1.315900    
 C   -1.901200      0.3021000      -1.006900    
 C   -3.761200     -0.7373000      0.9961000    
 C   -4.221000      0.2474000     -5.2400000E-02
 H    2.462500       2.409100      7.2200000E-02
 H    3.264000      -1.494000      -1.430600    
 H    2.189000      0.5581000       2.062300    
 H    2.636300      -1.616600       1.225100    
 H    1.684000      0.6014000      -1.684200    
 H    3.367100       1.076800      -2.018700    
 H    4.448600       1.226900       1.515800    
 H    4.888900       1.889400     -7.0100002E-02
 H    5.320100     -0.2108000     -0.8793000    
 H    4.893600     -0.9386000      0.6814000    
 H   -1.636300      -1.705700     -0.3894000    
 H   -2.150100      0.4228000       1.779500    
 H   -1.975900      -1.306900       2.056100    
 H   -4.355800     -0.5830000       1.903000    
 H   -3.961800      -1.748400      0.6247000    
 H   -3.556800       1.315900      -1.670100    


%chk=000026516-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026516

0 1
O -0.159972 1.678856 1.316243
O 0.626675 -2.634554 -0.329961
O -1.035210 0.811219 -1.783474
O -5.445888 0.621647 -0.377365
N -0.052873 -0.522547 0.469780
N -3.218239 0.674412 -1.011640
C 2.810640 1.403200 0.083741
C 3.189838 -0.696946 -0.744303
C 2.025266 0.477872 1.075734
C 2.291579 -0.962161 0.513747
C 2.618554 0.654458 -1.267637
C 4.328910 1.180668 0.358321
C 4.591283 -0.263191 -0.216778
C 0.511380 0.667680 0.997699
C 0.914813 -1.516051 0.159794
C -1.469426 -0.682577 0.138837
C -2.404533 -0.600513 1.366986
C -1.854565 0.335614 -0.958221
C -3.871847 -0.758846 0.918827
C -4.271056 0.224687 -0.175138
H 2.481351 2.452734 0.121470
H 3.202681 -1.540719 -1.451135
H 2.357211 0.631393 2.116988
H 2.787372 -1.647862 1.222115
H 1.569753 0.608888 -1.609451
H 3.235537 1.083096 -2.076367
H 4.575039 1.263057 1.432406
H 4.928289 1.938232 -0.177143
H 5.318149 -0.234360 -1.047944
H 4.985952 -0.961064 0.543573
H -1.545452 -1.693208 -0.318353
H -2.256592 0.367638 1.875603
H -2.138742 -1.402368 2.077574
H -4.571354 -0.614590 1.758399
H -4.051129 -1.781544 0.528481
H -3.486193 1.334052 -1.753507


