%chk=000058917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058917

0 1
 O   -1.649800      -2.065000      0.7050000    
 O   -1.417500      -4.457400     -0.3818000    
 N    1.723900      -1.459800     -0.4576000    
 C   0.5097000      1.0700000E-02  0.6783000    
 C    1.774000      0.6003000      0.3973000    
 C  -0.6025000      0.6476000       1.415900    
 C   0.5093000      -1.255500      0.1400000    
 C    2.516600     -0.3431000     -0.3162000    
 C   -1.754800       1.109500      0.5377000    
 C    2.359700       1.849700      0.6823000    
 C    3.820900     -9.8499998E-02 -0.7605000    
 C  -0.5309000      -2.236400      0.1616000    
 C    3.663500       2.108500      0.2439000    
 C    4.381000       1.147900     -0.4662000    
 C   -1.473700       1.787900     -0.6314000    
 C   -3.048700      0.8366000      0.9345000    
 C  -0.2988000      -3.601800     -0.5169000    
 C   -2.530500       2.211400      -1.437100    
 C   -4.105400       1.260000      0.1284000    
 C   -3.846300       1.947500      -1.057300    
 H  -0.2460000       1.525000       1.971000    
 H  -0.9652000     -4.5699999E-02   2.186100    
 H    2.009000      -2.303100     -0.9361000    
 H    1.816100       2.612000       1.232900    
 H    4.380200     -0.8457000      -1.313400    
 H    4.120200       3.070700      0.4603000    
 H    5.392400       1.370100     -0.7970000    
 H  -0.4599000       2.019200     -0.9410000    
 H   -3.261200      0.3041000       1.856500    
 H   0.5580000      -4.091800     -4.5200001E-02
 H  -9.7900003E-02  -3.453600      -1.582200    
 H   -2.329200       2.749900      -2.358600    
 H   -5.130200       1.055100      0.4243000    
 H   -4.669200       2.278000      -1.684300    
 H   -2.156300      -4.047200     -0.8630000    


%chk=000058917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058917

0 1
O -1.604049 -2.359399 0.945601
O -1.280981 -4.775437 -0.068832
N 1.698694 -1.597562 -0.511954
C 0.446850 -0.087492 0.694098
C 1.693421 0.531865 0.312460
C -0.680533 0.568809 1.462418
C 0.474065 -1.406281 0.178588
C 2.454596 -0.433733 -0.442847
C -1.742720 1.192407 0.544533
C 2.252138 1.820454 0.548295
C 3.734925 -0.141526 -0.968358
C -0.498784 -2.477812 0.313779
C 3.524215 2.113103 0.032277
C 4.255839 1.141585 -0.721477
C -1.497990 2.420685 -0.122196
C -2.989944 0.546226 0.348862
C -0.203882 -3.850923 -0.329371
C -2.477854 2.993684 -0.963201
C -3.971133 1.118317 -0.493283
C -3.720053 2.343846 -1.151630
H -0.252875 1.354058 2.114056
H -1.163611 -0.181625 2.109933
H 1.980414 -2.453298 -0.984773
H 1.702852 2.568854 1.129927
H 4.304277 -0.879943 -1.542840
H 3.970534 3.097875 0.205996
H 5.245326 1.404063 -1.111628
H -0.537817 2.933080 0.013987
H -3.176587 -0.410246 0.848125
H 0.745331 -4.256127 0.082740
H -0.079768 -3.718687 -1.426776
H -2.274644 3.945062 -1.468237
H -4.930781 0.607612 -0.633214
H -4.482093 2.788514 -1.801591
H -1.956876 -4.262908 0.466736


