%chk=000154360.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154360

0 1
 O   0.7425000     -0.3037000      4.4999998E-03
 O   -2.878800      -2.309400     -0.4533000    
 N   -4.668800       1.897500     -0.1867000    
 N   -1.968800     -0.5120000      0.6947000    
 N    2.814600      -1.219200     -6.3900001E-02
 C   -3.411600       1.176200     -0.3373000    
 C   -3.197900      0.2346000      0.8386000    
 C  -0.5812000      -2.389700      8.2000000E-03
 C   0.6021000      -1.661900     -1.2000000E-02
 C    1.871800      -2.218600     -5.4000001E-02
 C   -1.882700      -1.753800      4.9600001E-02
 C    2.092300     -0.1211000     -2.7899999E-02
 C  -0.4368000      -3.781100     -1.6700000E-02
 C    1.999200      -3.614800     -7.8699999E-02
 C   0.8265000      -4.383800     -5.9400000E-02
 C    2.523100       1.249500     -1.5699999E-02
 C   -4.899600       2.777900      -1.333800    
 C   -4.674200       2.672100       1.055800    
 C    1.581300       2.281700      2.6900001E-02
 C    3.885700       1.559500     -4.6999998E-02
 C    1.998700       3.612600      3.7799999E-02
 C    4.303100       2.890500     -3.5999998E-02
 C    3.359500       3.917000      6.3999998E-03
 H   -2.559400       1.864200     -0.4240000    
 H   -3.433400      0.5859000      -1.262600    
 H   -4.031700     -0.4705000      0.9330000    
 H   -3.087700      0.7679000       1.787000    
 H   -1.131800     -0.1042000       1.100400    
 H   -1.315400      -4.422900     -9.9999997E-05
 H    2.972800      -4.092400     -0.1115000    
 H   0.9008000      -5.468400     -7.7100001E-02
 H   -4.925300       2.199200      -2.264000    
 H   -4.124500       3.547200      -1.426900    
 H   -5.872300       3.275200      -1.248900    
 H   -5.552700       3.328200       1.091500    
 H   -3.784700       3.304100       1.160000    
 H   -4.768500       2.030500       1.937200    
 H   0.5120000       2.086300      5.2400000E-02
 H    4.639800      0.7766000     -8.0399998E-02
 H    1.264400       4.412100      7.0900001E-02
 H    5.362600       3.127900     -6.0400002E-02
 H    3.684500       4.953300      1.4900000E-02


%chk=000154360-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154360

0 1
O 0.967866 -0.099085 0.216570
O -2.977326 -2.164425 0.286550
N -5.144686 1.754616 -0.016344
N -1.888952 -0.129405 0.590300
N 2.968102 -1.174365 -0.262030
C -3.935056 0.976826 -0.358607
C -3.130621 0.593187 0.911396
C -0.568960 -2.112045 -0.008405
C 0.678661 -1.463800 -0.032094
C 1.909620 -2.115349 -0.324763
C -1.904117 -1.479518 0.295714
C 2.409882 -0.014062 0.051693
C -0.524573 -3.499823 -0.304551
C 1.927666 -3.495013 -0.615145
C 0.687888 -4.174217 -0.599478
C 3.034246 1.289862 0.246961
C -6.246206 1.580382 -0.984139
C -4.866421 3.177870 0.254936
C 2.268867 2.439814 0.581574
C 4.444929 1.401555 0.096548
C 2.908257 3.683075 0.762711
C 5.075223 2.647088 0.279309
C 4.310895 3.791886 0.612650
H -3.266312 1.522585 -1.072901
H -4.241828 0.036082 -0.848305
H -3.770093 -0.051174 1.537711
H -2.864381 1.492789 1.494469
H -1.000129 0.377087 0.567314
H -1.481903 -4.031531 -0.293435
H 2.867333 -4.006219 -0.840898
H 0.659199 -5.246161 -0.819438
H -6.481004 0.507126 -1.090421
H -6.017875 1.989980 -2.001198
H -7.151919 2.091688 -0.609748
H -5.786460 3.675428 0.610616
H -4.498989 3.732828 -0.647059
H -4.105929 3.279167 1.049053
H 1.184175 2.354129 0.697285
H 5.019686 0.506362 -0.160929
H 2.315159 4.566948 1.020685
H 6.161137 2.728517 0.162996
H 4.804448 4.759516 0.754346


