%chk=000170596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170596

0 1
 O  -0.9371000     -0.6521000      -1.351400    
 O   -4.681700      0.1828000      -1.703100    
 O   -3.384900       1.998300      -1.236000    
 O   0.8884000      -2.021000       1.744800    
 O    1.178600      -3.233900      -1.953800    
 N   -1.901400      0.4440000      0.4444000    
 N    1.371800     -0.7443000     -0.1285000    
 N    3.081900      -3.603500       1.207300    
 N    4.432600       5.330100     -0.4569000    
 C   -3.273200      3.5799999E-02  0.1716000    
 C   -4.033100      0.3489000       1.455300    
 C   -1.817900       1.217200       1.680900    
 C   -3.261700       1.526600       2.046100    
 C   0.5353000      0.3743000      0.2129000    
 C  -0.8278000     -6.9999998E-04 -0.3112000    
 C    1.003800       1.685800     -0.4151000    
 C   -3.760000      0.8640000     -0.9793000    
 C    2.361500       2.142800      0.1298000    
 C    2.770400       3.493700     -0.4678000    
 C    1.483200      -1.871600      0.6787000    
 C    2.425300      -2.923200      9.1399997E-02
 C    4.087200       4.027300      9.9299997E-02
 C    1.695300      -3.926900     -0.8180000    
 C   0.5633000      -4.694200     -0.1415000    
 H   -3.294200      -1.025900     -9.6199997E-02
 H   -5.089600      0.5846000       1.295500    
 H   -3.970300     -0.5049000       2.140800    
 H   -1.356000      0.5844000       2.446800    
 H   -1.216900       2.119700       1.546500    
 H   -3.408900       1.633600       3.124500    
 H   -3.580100       2.459700       1.566500    
 H   0.5358000      0.4585000       1.302600    
 H    1.073200       1.574800      -1.505500    
 H   0.2593000       2.470800     -0.2358000    
 H    3.132000       1.397100     -9.8300003E-02
 H    2.306100       2.230000       1.221700    
 H    1.842200     -0.7340000      -1.029200    
 H    1.974100       4.224600     -0.2763000    
 H    2.854900       3.395800      -1.557600    
 H    3.197700      -2.403000     -0.4883000    
 H    4.013700       4.113000       1.189200    
 H    4.896000       3.322000     -0.1204000    
 H    2.418100      -4.658100      -1.201300    
 H   -5.014000      0.7092000      -2.461200    
 H    2.392100      -4.068300       1.795400    
 H    3.689800      -4.339500      0.8496000    
 H   9.6299998E-02  -5.376200     -0.8613000    
 H   0.9121000      -5.287900      0.7074000    
 H  -0.2320000      -4.020900      0.1948000    
 H    3.699600       6.002600     -0.2353000    
 H    5.281500       5.674400     -1.0300000E-02
 H    1.926500      -2.801200      -2.400000    


%chk=000170596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170596

0 1
O -1.116436 -0.122786 -1.509015
O -5.124406 0.655817 -1.296921
O -3.720985 2.316241 -0.474892
O 0.575124 -1.588130 2.121416
O 2.647930 -2.362622 -1.641535
N -1.989792 0.289151 0.597977
N 1.326888 -0.656515 0.121065
N 1.779367 -3.963815 1.685512
N 4.903763 4.945981 -1.231392
C -3.347738 -0.070850 0.152725
C -4.070343 -0.438424 1.480869
C -1.927610 0.593440 2.059447
C -3.406797 0.505616 2.516331
C 0.479171 0.547166 0.230698
C -0.941041 0.214232 -0.291469
C 1.073927 1.713172 -0.593481
C -4.028115 1.109151 -0.551906
C 2.452506 2.182147 -0.081117
C 3.029364 3.346050 -0.917274
C 1.278963 -1.655215 1.056442
C 2.165470 -2.897175 0.762116
C 4.393056 3.840584 -0.394421
C 2.053077 -3.385786 -0.724769
C 0.623547 -3.639201 -1.198498
H -3.309890 -0.907055 -0.564427
H -5.163664 -0.318765 1.413264
H -3.849713 -1.494172 1.718487
H -1.281793 -0.153193 2.556891
H -1.515887 1.603430 2.234371
H -3.491555 0.125948 3.547944
H -3.877334 1.503985 2.476938
H 0.444853 0.818913 1.299434
H 1.132181 1.402133 -1.654762
H 0.357509 2.557358 -0.558510
H 3.163796 1.331764 -0.094163
H 2.363443 2.496131 0.980255
H 1.799369 -0.877264 -0.773467
H 2.308974 4.192108 -0.915120
H 3.151148 3.039073 -1.973788
H 3.225152 -2.567638 0.907759
H 4.284986 4.102672 0.688432
H 5.121915 3.008134 -0.447813
H 2.646433 -4.320614 -0.797586
H -5.561230 1.429591 -1.745769
H 1.153069 -3.618960 2.424135
H 2.539848 -4.555215 2.022952
H 0.628262 -4.130628 -2.185967
H 0.121368 -4.297220 -0.468539
H 0.057150 -2.695756 -1.291203
H 4.276234 5.756187 -1.269698
H 5.869525 5.222368 -1.029450
H 3.635758 -2.396443 -1.574307


