%chk=000062930.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062930

0 1
 O   -4.781300     -0.8388000      0.2033000    
 O    5.896000      -1.821200     -0.8426000    
 N    5.599000     -0.4646000     -0.9768000    
 C   -2.378800     -0.2348000      0.3671000    
 C   -1.567600      0.8326000     -0.4032000    
 C  -0.2383000       1.173500      0.2755000    
 C   0.6274000     -0.1294000      0.3732000    
 C   -3.681000     -0.2712000     -0.4925000    
 C   -1.540900      -1.526300      0.4231000    
 C   -2.579800       1.951300     -0.6380000    
 C  -0.1494000      -1.288300       1.039800    
 C    1.967900      0.2052000       1.082400    
 C   -3.932300       1.228100     -0.8109000    
 C   0.5196000       2.292500     -0.4661000    
 C   -2.724400      0.1826000       1.826800    
 C    1.890300       2.566600      0.1593000    
 C    2.660900       1.277600      0.2585000    
 C    2.904800     -0.9820000       1.358400    
 C   -3.483300     -0.9181000       2.519300    
 C   -3.527300      -1.025300      -1.752900    
 C    3.666800      -1.418700      0.1199000    
 C    3.812800       1.095400     -0.4054000    
 C    4.441800     -0.2484000     -0.4407000    
 C   -3.402800      -1.638200      -2.777500    
 H   -1.310100      0.4367000      -1.398500    
 H  -0.4284000       1.546800       1.289200    
 H   0.8529000     -0.4556000     -0.6538000    
 H   -1.363200      -1.896400     -0.5948000    
 H   -2.030100      -2.357000      0.9365000    
 H   -2.331800       2.541500      -1.526400    
 H   -2.623500       2.640200      0.2130000    
 H  -0.2392000      -1.108500       2.116800    
 H   0.4169000      -2.220400      0.9295000    
 H    1.728000      0.6332000       2.066700    
 H   -4.671800       1.661100     -0.1262000    
 H   -4.321600       1.379700      -1.824900    
 H  -6.6500001E-02   3.218700     -0.4508000    
 H   0.6485000       2.015500      -1.520800    
 H   -3.323500       1.099600       1.851000    
 H   -1.827900      0.4087000       2.411200    
 H    1.769800       2.997600       1.160500    
 H    2.421600       3.311000     -0.4450000    
 H    2.367400      -1.828600       1.795200    
 H    3.634400     -0.6715000       2.120500    
 H   -4.462100     -0.5473000       2.846900    
 H   -3.659600      -1.843800       1.970800    
 H   -2.954000      -1.202800       3.437000    
 H   -5.589800     -0.6506000     -0.3036000    
 H    2.984500      -1.785300     -0.6556000    
 H    4.285500      -2.260600      0.4403000    
 H    4.278800       1.883500     -0.9858000    
 H   -3.291400      -2.181900      -3.686200    
 H    6.767800      -1.874000      -1.269300    


%chk=000062930-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062930

0 1
O -4.839989 -0.890670 0.113846
O 6.066339 -1.817263 -1.082826
N 5.594642 -0.417350 -1.055994
C -2.425975 -0.240353 0.342375
C -1.591766 0.860309 -0.400124
C -0.245671 1.178192 0.280693
C 0.596497 -0.137884 0.397975
C -3.696300 -0.264721 -0.595358
C -1.580833 -1.531483 0.382171
C -2.607214 2.008161 -0.641877
C -0.213729 -1.277129 1.073504
C 1.944581 0.193220 1.135818
C -3.962404 1.266805 -0.888697
C 0.535053 2.286705 -0.468828
C -2.853506 0.217239 1.781639
C 1.921587 2.565266 0.185216
C 2.671410 1.258774 0.322312
C 2.878444 -0.999834 1.458528
C -3.351329 -0.892116 2.737316
C -3.472620 -0.997118 -1.862442
C 3.698034 -1.486268 0.241646
C 3.839280 1.002202 -0.347112
C 4.446609 -0.330093 -0.395900
C -3.371704 -1.595942 -2.936387
H -1.339951 0.435381 -1.398062
H -0.433426 1.550543 1.312184
H 0.839719 -0.464615 -0.638161
H -1.397170 -1.877574 -0.654680
H -2.121407 -2.347073 0.895602
H -2.318730 2.640238 -1.499639
H -2.669694 2.664873 0.246583
H -0.364370 -1.034557 2.145935
H 0.370304 -2.216708 1.045193
H 1.647537 0.652338 2.106269
H -4.746927 1.610667 -0.190832
H -4.333475 1.417997 -1.917147
H -0.059209 3.220823 -0.485614
H 0.689099 1.978235 -1.523432
H -3.651402 0.978188 1.699232
H -1.995653 0.725877 2.260827
H 1.753104 3.019335 1.184601
H 2.491444 3.293398 -0.421071
H 2.305244 -1.842230 1.885102
H 3.588577 -0.674181 2.244084
H -3.700339 -0.440163 3.685215
H -4.189555 -1.446630 2.287824
H -2.551113 -1.610877 2.993231
H -5.570140 -1.030004 -0.542497
H 3.031361 -1.934384 -0.523413
H 4.412513 -2.275818 0.530592
H 4.337594 1.792195 -0.922445
H -3.264320 -2.125321 -3.865266
H 6.922651 -1.729005 -1.574310


