%chk=000020114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020114

0 1
 O    5.143300      0.6741000      -1.207300    
 N   -2.090800      0.9289000     -0.1834000    
 C   0.4346000     -0.8348000     -0.6794000    
 C  -0.5039000     -0.8293000      0.5292000    
 C  -0.8743000      0.6745000      0.5840000    
 C  -0.4583000     -0.2628000      -1.884900    
 C   0.8608000      -2.295600     -0.9623000    
 C   6.7699999E-02  -1.514800       1.784100    
 C   -1.961800      0.1458000      -1.471800    
 C    1.635600      0.1189000     -0.2871000    
 C   0.1332000       1.423400       1.444900    
 C   -3.307600      0.6207000      0.5489000    
 C   -4.523300      0.9640000     -0.2904000    
 C    1.434300      -3.007600      0.2679000    
 C   0.4777000      -2.951400       1.457900    
 C    1.505400       1.121900      0.7612000    
 C   -5.867000      0.7306000      0.2960000    
 C   -5.356400     -0.1521000     -0.8049000    
 C    2.866800      9.8000001E-03 -0.9462000    
 C    2.608900       1.897500       1.132300    
 C    3.949700      0.8061000     -0.5628000    
 C    3.825500       1.732300      0.4742000    
 H   -1.389800      -1.439700      0.3039000    
 H  -0.4203000       1.224000     -0.2538000    
 H  -0.5294000      -1.006300      -2.688100    
 H   3.1399999E-02  0.6157000      -2.325800    
 H    1.578900      -2.351000      -1.787300    
 H  -1.7800000E-02  -2.864800      -1.296600    
 H  -0.6920000      -1.520400       2.574600    
 H   0.9419000      -1.004100       2.197100    
 H   -2.391400      0.7397000      -2.286700    
 H   -2.537600     -0.7875000      -1.417500    
 H   0.1250000       1.101600       2.490200    
 H  -6.0500000E-02   2.503400       1.420300    
 H   -3.341500     -0.4235000      0.8827000    
 H   -3.342300       1.244900       1.450500    
 H   -4.409600       1.863200     -0.8836000    
 H    2.394700      -2.560600      0.5489000    
 H    1.638600      -4.055000      1.7100001E-02
 H  -0.4173000      -3.544800       1.233500    
 H   0.9500000      -3.408900       2.334500    
 H   -6.656400       1.431400      5.2999999E-02
 H   -5.938000      0.3056000       1.289700    
 H   -5.095700      -1.171900     -0.5503000    
 H   -5.798300     -4.0100001E-02  -1.787600    
 H    3.002600     -0.6964000      -1.759800    
 H    2.520000       2.644400       1.916200    
 H    4.672300       2.347300      0.7687000    
 H    5.782500       1.296000     -0.8191000    


%chk=000020114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020114

0 1
O 5.197242 0.547903 -1.213993
N -2.140515 0.921739 -0.228291
C 0.451840 -0.873253 -0.697512
C -0.487612 -0.810996 0.523861
C -0.808977 0.722822 0.394038
C -0.496289 -0.337631 -1.900930
C 0.948447 -2.319966 -0.953699
C 0.095786 -1.440904 1.806752
C -1.994290 0.050196 -1.497513
C 1.622524 0.120824 -0.287480
C 0.078950 1.495579 1.375886
C -3.339792 0.593909 0.576085
C -4.624630 1.076006 -0.086524
C 1.523087 -2.974276 0.329279
C 0.516725 -2.904790 1.507398
C 1.476332 1.129679 0.760470
C -5.979079 0.528296 0.385253
C -5.442534 0.154881 -1.006825
C 2.884946 -0.016098 -0.903270
C 2.604866 1.890438 1.130706
C 3.991470 0.774170 -0.518680
C 3.866515 1.725546 0.515248
H -1.402399 -1.396075 0.302116
H -0.259894 1.068636 -0.490782
H -0.586044 -1.138299 -2.662968
H -0.013763 0.517108 -2.411979
H 1.686400 -2.365507 -1.778085
H 0.072221 -2.912088 -1.291641
H -0.658623 -1.418629 2.618275
H 0.980443 -0.887059 2.170198
H -2.461538 0.577472 -2.350235
H -2.566747 -0.893975 -1.353341
H -0.003890 1.193370 2.436676
H -0.067262 2.591010 1.315531
H -3.432242 -0.505286 0.789938
H -3.223067 1.106572 1.551472
H -4.592425 2.135124 -0.367211
H 2.459746 -2.459473 0.618962
H 1.788605 -4.028995 0.120223
H -0.383599 -3.503848 1.254433
H 0.962545 -3.364214 2.411065
H -6.826659 1.216473 0.450611
H -5.972520 -0.249986 1.156204
H -5.085947 -0.870124 -1.154078
H -5.927237 0.592448 -1.884636
H 3.044896 -0.753424 -1.695768
H 2.491815 2.651878 1.912113
H 4.722221 2.338428 0.826883
H 5.910055 1.146693 -0.879436


