%chk=000128544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128544

0 1
 I    3.914400     -0.6882000      -2.375200    
 O   -2.130100     -0.4501000      -1.932900    
 O   -3.680700      -2.751800      -2.089100    
 N  -0.6186000      -2.998100     -2.1700000E-02
 N  -0.8508000       3.451500      0.2637000    
 N    4.015100       1.509600      7.7699997E-02
 N    5.233400       1.427500      0.3418000    
 N    6.347700       1.361400      0.5796000    
 C  -0.4228000      -3.076200       1.419500    
 C    1.104900      -3.097000       1.689600    
 C   -2.036000      -2.938100     -0.3522000    
 C   -1.117600      -4.356700       1.902600    
 C   -1.107300      -1.848900       2.036400    
 C   -2.271500      -2.844700      -1.861600    
 C    1.880200      -1.876800       1.248500    
 C   -1.594300      -1.637000      -2.505800    
 C   -1.414100       1.593600     -0.8333000    
 C    2.412300      -1.836300     -2.9400000E-02
 C    2.044300     -0.8238000       2.133000    
 C   -1.291600      0.6309000      -1.857200    
 C   -2.295600       1.753200      0.2828000    
 C  -0.5246000       2.668300     -0.8182000    
 C   -1.919100       2.920600      0.9473000    
 C  -0.2890000      0.7797000      -2.822200    
 C    3.129000     -0.7104000     -0.4349000    
 C    2.761400      0.3020000       1.727700    
 C   0.4830000       2.830500      -1.776000    
 C   -3.382000       1.009300      0.7895000    
 C    3.303600      0.3589000      0.4438000    
 C   0.5840000       1.864100      -2.780200    
 C   -2.573900       3.383600       2.094300    
 C   -4.046900       1.459700       1.935600    
 C   -3.647200       2.629700       2.576600    
 H    1.552200      -3.986900       1.222900    
 H    1.273600      -3.242200       2.766300    
 H  -0.1913000      -3.799800     -0.4847000    
 H   -2.581100      -3.829100     -2.4000000E-02
 H   -2.548200      -2.080100      9.1200002E-02
 H  -0.8036000      -4.577300       2.930700    
 H   -2.209800      -4.289000       1.939300    
 H  -0.8387000      -5.228800       1.299000    
 H  -0.8683000     -0.9206000       1.505100    
 H   -2.197200      -1.937800       2.103100    
 H  -0.7704000      -1.719600       3.072700    
 H   -1.916300      -3.757000      -2.355800    
 H   -1.822400      -1.624900      -3.578300    
 H  -0.5099000      -1.726200      -2.367400    
 H    2.273100      -2.677500     -0.7038000    
 H    1.630200     -0.8579000       3.136300    
 H  -0.3701000       4.302300      0.5216000    
 H   -4.090500      -3.554700      -1.724400    
 H  -0.1752000      8.5400000E-02  -3.650200    
 H    1.162900       3.675300      -1.744500    
 H    2.889500       1.129400       2.421100    
 H   -3.711700      9.6900001E-02  0.3018000    
 H    1.350500       1.967100      -3.544000    
 H   -2.263000       4.294800       2.594300    
 H   -4.884400      0.8892000       2.327900    
 H   -4.176900       2.962500       3.465600    


%chk=000128544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128544

0 1
I 3.680851 -1.607492 -2.812696
O -1.561711 -0.325726 -1.332971
O -3.132539 -2.468944 -2.542816
N -0.634774 -3.411619 0.132456
N -1.580753 3.992295 0.458130
N 4.597560 0.675845 -0.291141
N 4.565082 1.257625 -1.413619
N 4.718570 1.971514 -2.349432
C -0.368039 -3.239710 1.596060
C 1.167276 -3.515792 1.809801
C -1.948737 -3.034316 -0.423326
C -1.163887 -4.271488 2.451180
C -0.723770 -1.803546 2.046523
C -1.813823 -2.672700 -1.924193
C 2.098449 -2.465290 1.232587
C -1.000727 -1.402223 -2.162331
C -1.471958 1.909888 -0.505039
C 2.397541 -2.441966 -0.153415
C 2.682984 -1.467095 2.052488
C -0.889784 0.902890 -1.318228
C -2.665128 1.961636 0.325706
C -0.823671 3.185506 -0.409200
C -2.699998 3.275161 0.915846
C 0.299652 1.186644 -2.030421
C 3.220442 -1.442341 -0.711920
C 3.490492 -0.457911 1.501510
C 0.367202 3.486537 -1.107519
C -3.704743 1.044226 0.612835
C 3.754012 -0.405962 0.106224
C 0.908007 2.467813 -1.918478
C -3.733116 3.676442 1.788006
C -4.742500 1.441106 1.483955
C -4.753503 2.739718 2.066608
H 1.392455 -4.510495 1.372293
H 1.338746 -3.603350 2.899280
H -0.357068 -4.357499 -0.169184
H -2.720523 -3.839387 -0.325247
H -2.331073 -2.145198 0.100042
H -1.010324 -4.103402 3.533574
H -2.247248 -4.185843 2.248207
H -0.850270 -5.307945 2.218605
H -0.334681 -1.054742 1.337031
H -1.814508 -1.658493 2.138818
H -0.285159 -1.603897 3.040715
H -1.275438 -3.499015 -2.446255
H -1.055274 -1.119913 -3.231500
H 0.048655 -1.592905 -1.869047
H 1.974986 -3.215649 -0.798803
H 2.492787 -1.470585 3.131531
H -1.357257 4.953406 0.704296
H -3.724692 -3.225085 -2.297258
H 0.764998 0.435176 -2.673630
H 0.852291 4.464707 -1.032326
H 3.924401 0.328615 2.126019
H -3.702105 0.056351 0.142997
H 1.825996 2.663383 -2.484940
H -3.752984 4.677430 2.233252
H -5.557370 0.744823 1.711344
H -5.571699 3.022289 2.738918


