%chk=000100049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100049

0 1
 O   -1.550400     -9.4400004E-02  -1.677100    
 O    2.647700      0.1197000      0.4030000    
 O   -5.373100      0.4284000      0.9885000    
 O   -6.452100     -0.9594000     -0.4266000    
 O    1.374200      0.7501000       2.207400    
 N   -2.979400     -0.1819000      0.1504000    
 N   0.4769000      0.6013000      7.2600000E-02
 C   -1.103300       2.518400      0.2776000    
 C  -0.8748000      0.9914000      0.3849000    
 C  -0.8514000       3.052900      -1.149800    
 C   -4.023200     -0.9712000     -0.4630000    
 C   -3.732700      -2.475900     -0.2768000    
 C   -1.820000      0.1942000     -0.5129000    
 C   -2.509900       2.877700      0.7746000    
 C   -1.038800       4.559500      -1.275600    
 C   -3.736900      -2.914300       1.190900    
 C   -4.683100      -3.354800      -1.094600    
 C   -5.398600     -0.5293000      2.9200001E-02
 C    1.488000      0.5133000       1.009200    
 C    3.786600     -1.3900000E-02   1.260900    
 C    4.967100     -0.4494000      0.4436000    
 C    5.222000      -1.805200      0.2699000    
 C    5.796100      0.5068000     -0.1328000    
 C    6.319700      -2.209900     -0.4898000    
 C    6.893600      0.1021000     -0.8926000    
 C    7.155400      -1.256300      -1.071100    
 H  -0.3834000       3.008700      0.9476000    
 H   -1.052600      0.6917000       1.426400    
 H   -1.522100       2.566800      -1.867100    
 H   0.1729000       2.809500      -1.455600    
 H   -4.005700     -0.7355000      -1.535200    
 H   -2.721000      -2.667000     -0.6616000    
 H   -2.724200       2.396900       1.735000    
 H   -2.600500       3.956700      0.9374000    
 H   -3.283900       2.586000      5.7700001E-02
 H   -3.103800      8.5500002E-02   1.122300    
 H   0.7106000      0.3901000     -0.8933000    
 H  -0.4322000       5.094400     -0.5382000    
 H  -0.7305000       4.892200      -2.272200    
 H   -2.085500       4.848400      -1.143900    
 H   -4.719500      -2.766100       1.650600    
 H   -3.485600      -3.977100       1.275600    
 H   -2.999400      -2.355800       1.775900    
 H   -4.332300      -4.392800      -1.096400    
 H   -4.729600      -3.020300      -2.136100    
 H   -5.697300      -3.357200     -0.6845000    
 H   -6.275900      0.7000000       1.259500    
 H    3.996700      0.9461000       1.748900    
 H    3.574900     -0.7520000       2.044500    
 H    4.576400      -2.556600      0.7162000    
 H    5.600200       1.567500     -1.9000000E-03
 H    6.523300      -3.267600     -0.6293000    
 H    7.544000      0.8446000      -1.345600    
 H    8.009800      -1.571500      -1.662900    


%chk=000100049-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100049

0 1
O -1.566163 -1.331612 -1.232858
O 2.667623 -1.430565 0.512409
O -5.271488 1.068374 0.665545
O -6.480160 0.098290 -1.064232
O 1.832154 0.226758 1.982593
N -3.056052 -0.222397 0.155916
N 0.568697 -0.620132 0.199615
C -0.439176 1.683940 0.054307
C -0.629594 0.176958 0.474639
C -0.305780 1.844283 -1.481130
C -4.234710 -0.781516 -0.525260
C -4.576159 -2.237584 -0.017244
C -1.784674 -0.524496 -0.270754
C -1.530032 2.598195 0.658700
C 0.209926 3.235175 -1.910626
C -5.091619 -2.243304 1.438775
C -5.546072 -2.959665 -0.977190
C -5.435282 0.143383 -0.385295
C 1.688805 -0.531514 0.980504
C 3.981221 -1.381617 1.236281
C 4.934546 -0.390527 0.602055
C 5.863416 -0.814307 -0.381736
C 4.909657 0.975880 0.986219
C 6.751664 0.109387 -0.976994
C 5.796544 1.900244 0.391535
C 6.719905 1.469581 -0.590618
H 0.526496 1.967161 0.520151
H -0.824359 0.166331 1.566107
H -1.285858 1.646755 -1.962108
H 0.389833 1.070884 -1.860505
H -3.997874 -0.870620 -1.602430
H -3.599845 -2.758911 -0.053533
H -1.662488 2.406243 1.741669
H -1.244369 3.659281 0.553537
H -2.506388 2.470534 0.154436
H -3.213221 0.440961 0.917300
H 0.516436 -1.284459 -0.580456
H 1.186599 3.455955 -1.439803
H 0.347475 3.281652 -3.006303
H -0.492053 4.041554 -1.629748
H -6.096509 -1.786018 1.513660
H -5.171716 -3.281715 1.807111
H -4.410766 -1.697975 2.117484
H -5.712117 -3.996849 -0.633477
H -5.135425 -3.004074 -2.002637
H -6.525355 -2.451945 -1.025545
H -6.087307 1.631781 0.746335
H 3.776061 -1.129842 2.291248
H 4.349758 -2.416033 1.149957
H 5.887521 -1.868843 -0.683469
H 4.183555 1.301399 1.739777
H 7.466511 -0.228795 -1.735599
H 5.771566 2.953018 0.694937
H 7.410040 2.186858 -1.049452


