%chk=000071402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071402

0 1
 O   -2.470200      -1.646200       2.061900    
 O   -2.199500      -2.278100     -0.8658000    
 O  -0.1377000      -2.586600       1.236700    
 O   -4.791100       1.695300     -0.3098000    
 O    2.206000      -2.362100      0.5533000    
 O   -5.219000      -1.176600      -2.046200    
 O    4.646500      -2.026000     -4.3699998E-02
 N   -3.409100       2.527900       1.866500    
 C   -1.825000      0.6216000       1.486800    
 C   -1.819600     -0.8562000       1.059200    
 C  -0.8979000       1.472400      0.5953000    
 C   -3.281400       1.122800       1.483700    
 C   0.4665000      0.8676000      0.4145000    
 C  -0.3924000      -1.409000      0.9897000    
 C   0.7058000     -0.4967000      0.5859000    
 C   -2.573100      -1.104300     -0.2336000    
 C   -3.923900      0.9314000      0.1157000    
 C   -3.524100     -0.2669000     -0.7020000    
 C    1.526700       1.696800      1.2900000E-02
 C    1.990800      -1.021300      0.3846000    
 C    2.819000       1.187600     -0.1950000    
 C    3.054500     -0.1912000     -4.4000000E-03
 C    1.261200       3.159500     -0.2150000    
 C   -4.189300     -0.5084000      -1.995100    
 C    4.346800     -0.7022000     -0.2111000    
 C    3.881000       2.018700     -0.5884000    
 C    5.391100      0.1368000     -0.6005000    
 C    5.158500       1.495500     -0.7890000    
 C   -3.569700      9.5299996E-02  -3.224900    
 C    6.768700     -0.3974000     -0.8224000    
 H   -1.450000      0.6871000       2.519700    
 H  -0.8054000       2.439800       1.102200    
 H   -1.336900       1.640600     -0.3947000    
 H   -3.873800      0.5361000       2.196600    
 H   -2.062500      -1.440800       2.920700    
 H   -4.393700       2.791500       1.883900    
 H   -2.967000       3.125200       1.169300    
 H    1.773800       3.527200      -1.110100    
 H   0.2157000       3.399300     -0.4231000    
 H    1.584400       3.741600      0.6540000    
 H   -2.729700      -2.384900      -1.672700    
 H    3.769100       3.089300     -0.7304000    
 H    3.141500      -2.540300      0.7333000    
 H    5.961100       2.164400      -1.088200    
 H   -2.670600      0.6647000      -2.972200    
 H   -4.288300      0.7716000      -3.695000    
 H   -3.293200     -0.7035000      -3.917800    
 H    7.159100     -0.8599000      9.0400003E-02
 H    6.776600      -1.123500      -1.642200    
 H    7.469700      0.3992000      -1.096800    
 H    5.560200      -2.237500     -0.2846000    


%chk=000071402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071402

0 1
O -2.651310 -1.610153 1.862078
O -1.854655 -2.031562 -1.113198
O -0.214501 -2.460175 1.806306
O -4.544924 1.932262 -0.650803
O 2.292569 -2.383838 0.885291
O -3.404881 -1.522245 -2.889136
O 4.739364 -2.094915 0.293448
N -3.423259 2.568289 1.721453
C -1.819199 0.659271 1.419212
C -1.762589 -0.814744 1.009188
C -0.827679 1.495558 0.587145
C -3.278176 1.177160 1.285655
C 0.567584 0.896468 0.417715
C -0.314002 -1.349754 1.198068
C 0.799153 -0.503775 0.733582
C -2.296044 -1.018925 -0.414481
C -3.774402 1.038238 -0.167812
C -3.328189 -0.139420 -0.936828
C 1.614647 1.708660 -0.050447
C 2.103702 -1.054171 0.595214
C 2.944130 1.158562 -0.187684
C 3.198374 -0.227685 0.134777
C 1.396808 3.166587 -0.427215
C -3.871090 -0.451893 -2.228636
C 4.537602 -0.723255 -0.020976
C 4.047132 1.960950 -0.632051
C 5.613111 0.063757 -0.456682
C 5.331771 1.429664 -0.757847
C -4.949539 0.310563 -2.936698
C 7.008537 -0.517457 -0.600658
H -1.530823 0.706732 2.487230
H -0.773777 2.488913 1.063333
H -1.253991 1.678131 -0.421449
H -3.904484 0.464887 1.874333
H -2.095711 -2.419633 2.099179
H -3.624536 2.679851 2.717558
H -4.066590 3.091603 1.113665
H 1.755426 3.369143 -1.453935
H 0.337371 3.454712 -0.395659
H 1.945785 3.849621 0.250098
H -2.615104 -1.981860 -2.247566
H 3.882970 3.013284 -0.874086
H 3.256682 -2.633591 0.726661
H 6.154922 2.068620 -1.098084
H -4.602994 1.329849 -3.182948
H -5.824836 0.459246 -2.281829
H -5.229926 -0.230446 -3.853628
H 7.412664 -0.894794 0.361076
H 7.049033 -1.344365 -1.338957
H 7.711324 0.253893 -0.954932
H 5.676747 -2.378621 0.174060


