%chk=000173203.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173203

0 1
 O   -1.878900     -0.5778000      -1.369900    
 O   -4.958400      -2.470100      0.6248000    
 O   0.5634000       1.171600       1.271400    
 O   0.2725000       3.902700     -0.2532000    
 O    4.321300       1.520400      8.7099999E-02
 N   -4.320800     -0.5442000     -0.5443000    
 N   -1.404700       1.575100     -0.6203000    
 N    1.907900      0.3140000     -0.4154000    
 N    4.350400      0.4650000       2.126700    
 C   -3.594100      0.6644000     -0.2759000    
 C   -3.614500      0.7698000       1.237200    
 C    3.477200      -1.586800     -0.2629000    
 C   -3.734600     -0.6771000       1.714900    
 C    2.842100     -0.3774000      0.4344000    
 C    2.634900      -2.878000     -0.2137000    
 C  -2.6799999E-02   1.632300      -1.034800    
 C   -2.216900      0.4694000     -0.8245000    
 C   -4.432100      -1.369400      0.5696000    
 C   0.8310000       1.041300      7.8800000E-02
 C    1.268600      -2.708000     -0.8792000    
 C    3.399200      -4.019400     -0.8902000    
 C   0.3977000       3.054000      -1.388700    
 C    3.915600      0.6283000      0.8282000    
 H   -4.082300       1.508700     -0.7714000    
 H   -2.749600       1.271800       1.680400    
 H   -4.511300       1.319900       1.550600    
 H    3.712200      -1.337200      -1.306700    
 H    4.442000      -1.805000      0.2156000    
 H    2.314200     -0.7007000       1.340000    
 H   -2.750200      -1.134300       1.855400    
 H   -4.319600     -0.7542000       2.634500    
 H    2.474600      -3.154200      0.8360000    
 H   -4.682700     -0.7945000      -1.459400    
 H   7.4100003E-02   1.006100      -1.929900    
 H   -1.778500       2.373500     -0.1152000    
 H    2.089400      0.3235000      -1.415100    
 H    1.364900      -2.314700      -1.896700    
 H   0.6271000      -2.033900     -0.3044000    
 H   0.7444000      -3.668200     -0.9386000    
 H    3.579600      -3.804800      -1.949100    
 H    2.836500      -4.956800     -0.8255000    
 H    4.368400      -4.179800     -0.4062000    
 H  -0.2370000       3.462500      -2.181600    
 H    1.438300       3.087400      -1.727500    
 H    5.054200       1.080400       2.520700    
 H    4.004200     -0.2741000       2.730000    
 H   0.9207000       3.610200      0.4095000    


%chk=000173203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173203

0 1
O -0.704630 0.151530 -1.927600
O -3.340490 -3.410000 -0.646828
O 2.036928 2.120731 1.141608
O -0.169941 3.805730 1.437707
O 5.094423 -0.461984 -1.197006
N -3.075850 -1.167104 -1.327863
N -1.020185 1.747815 -0.281214
N 1.816875 0.522280 -0.547814
N 4.607843 1.345323 0.186352
C -2.885828 0.172530 -0.773527
C -3.337225 0.005608 0.723689
C 2.658720 -1.830697 -0.592233
C -3.271243 -1.517439 0.998387
C 2.874843 -0.397994 -0.055581
C 1.929533 -2.786200 0.388735
C 0.259866 2.431188 -0.556746
C -1.438392 0.669893 -1.017992
C -3.247695 -2.181934 -0.389595
C 1.451137 1.669206 0.084059
C 0.502077 -2.305854 0.743397
C 1.888629 -4.215066 -0.201958
C 0.175959 3.861237 0.013124
C 4.299259 0.151845 -0.428356
H -3.542411 0.905876 -1.284953
H -2.711905 0.582960 1.424753
H -4.373376 0.368376 0.826870
H 2.099662 -1.794116 -1.549998
H 3.652980 -2.242368 -0.844237
H 2.818437 -0.388712 1.052530
H -2.349248 -1.814792 1.529610
H -4.125814 -1.894379 1.582249
H 2.526180 -2.820131 1.326382
H -2.841827 -1.379146 -2.299135
H 0.403941 2.450728 -1.653894
H -1.536982 2.106310 0.529485
H 1.227359 0.219316 -1.343342
H -0.127282 -2.261127 -0.166054
H 0.509550 -1.301001 1.207634
H 0.022967 -3.006108 1.453071
H 1.302273 -4.233293 -1.140605
H 1.413510 -4.922905 0.501698
H 2.905376 -4.586138 -0.428412
H -0.638696 4.420134 -0.475860
H 1.134560 4.388831 -0.152789
H 5.517022 1.767991 -0.001748
H 3.922141 1.806807 0.801325
H 0.620573 3.377944 1.878175


