%chk=000105646.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105646

0 1
 O   -4.448700       1.136100      0.6987000    
 O   0.8902000       2.142700      0.2369000    
 O   0.8355000      0.3503000       1.680300    
 N    2.237800      -1.741400      0.5627000    
 C   -4.835100      0.2752000     -0.3747000    
 C   -3.578700     -0.4608000     -0.8830000    
 C   -2.834200      -1.264600      0.1913000    
 C   -1.559300      -1.895400     -0.3752000    
 C  -0.8354000      -2.730700      0.6809000    
 C   -5.407700       1.149200      -1.495400    
 C   -5.909400     -0.6868000      0.1379000    
 C   0.4520000      -3.332300      0.1271000    
 C    1.390400      -2.231300     -0.2821000    
 C    3.057500     -0.7091000      7.6399997E-02
 C    2.663600      0.6255000      0.1746000    
 C    4.280500      -1.033800     -0.5107000    
 C    3.492600       1.635100     -0.3143000    
 C    5.109600     -2.4100000E-02 -0.9994000    
 C    4.715600       1.310200     -0.9013000    
 C    1.391800      0.9938000      0.7827000    
 C  -0.3602000       2.609900      0.7546000    
 C  -0.7485000       3.882100      3.2000002E-02
 H   -3.849400      -1.125000      -1.713500    
 H   -2.876800      0.2827000      -1.284600    
 H   -2.571400     -0.6147000       1.034200    
 H   -3.482500      -2.057700      0.5798000    
 H   -1.811400      -2.529000      -1.234400    
 H  -0.9125000      -1.091500     -0.7440000    
 H   -1.489900      -3.540600       1.023700    
 H  -0.6101000      -2.106200       1.553900    
 H   -5.713500      0.5487000      -2.358300    
 H   -6.276300       1.718300      -1.144400    
 H   -4.670500       1.888600      -1.828800    
 H   -6.191300      -1.418600     -0.6258000    
 H   -6.810600     -0.1390000      0.4376000    
 H   -5.573500      -1.221600       1.032400    
 H   0.2537000      -3.965000     -0.7438000    
 H   0.9328000      -3.945000      0.8972000    
 H   -5.242400       1.604200       1.009800    
 H    1.293600      -1.847100      -1.314500    
 H    4.597800      -2.070300     -0.5913000    
 H    3.222600       2.685300     -0.2409000    
 H    6.062300     -0.2768000      -1.455600    
 H    5.363000       2.096300      -1.279000    
 H   -1.127600       1.843900      0.5967000    
 H  -0.2588000       2.807400       1.827300    
 H   -1.702200       4.267200      0.4035000    
 H  -0.8354000       3.702000      -1.044600    
 H   1.9900000E-02   4.650700      0.1649000    


%chk=000105646-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105646

0 1
O -3.825699 1.433779 0.155336
O 0.793297 2.154317 0.152214
O 0.402398 0.046012 1.045538
N 2.406073 -1.917124 0.269730
C -4.734839 0.377413 -0.393548
C -3.776346 -0.694424 -0.965882
C -2.904819 -1.427947 0.078370
C -1.723859 -2.179791 -0.575688
C -0.849774 -2.928681 0.458041
C -5.588342 0.999400 -1.521334
C -5.628040 -0.162303 0.745295
C 0.514232 -3.439846 -0.107961
C 1.402956 -2.278364 -0.472021
C 3.154639 -0.741493 0.029450
C 2.605577 0.588022 0.083243
C 4.544335 -0.900689 -0.235734
C 3.465572 1.696536 -0.161834
C 5.369914 0.209690 -0.483621
C 4.829708 1.520147 -0.451344
C 1.186833 0.847721 0.475049
C -0.597589 2.531080 0.559042
C -0.840712 3.938709 0.024656
H -4.375281 -1.425948 -1.544728
H -3.112690 -0.179278 -1.689341
H -2.495138 -0.687459 0.790938
H -3.522005 -2.140780 0.662616
H -2.097295 -2.892991 -1.341705
H -1.108806 -1.431707 -1.113497
H -1.409086 -3.799464 0.854770
H -0.637423 -2.254087 1.306774
H -6.251003 0.244135 -1.983037
H -6.227772 1.816257 -1.133780
H -4.934351 1.417542 -2.306883
H -6.238547 -1.017125 0.400350
H -6.322387 0.621793 1.105746
H -5.012600 -0.495803 1.597467
H 0.327106 -4.067457 -1.002798
H 1.027209 -4.053354 0.653504
H -4.386078 2.130086 0.585277
H 1.128518 -1.701680 -1.380756
H 4.949352 -1.917441 -0.244003
H 3.033195 2.699364 -0.112534
H 6.434049 0.056805 -0.696026
H 5.469732 2.389067 -0.635724
H -1.313059 1.798778 0.147520
H -0.656038 2.480851 1.662138
H -1.860384 4.265448 0.298888
H -0.757716 3.960099 -1.075554
H -0.117516 4.659182 0.444881


