%chk=000045367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045367

0 1
 O    1.163800      -1.861600     -0.8363000    
 O    2.263100      0.5987000     -0.1949000    
 O   0.5986000       2.750900      0.3221000    
 N   -5.382600     -0.6220000      0.8214000    
 C   -1.860400      0.1397000     -0.3807000    
 C   -3.341100     -2.5200000E-02 -0.4471000    
 C   -1.025300     -0.9465000     -0.6423000    
 C   0.3597000     -0.7921000     -0.5808000    
 C   0.9094000      0.4484000     -0.2578000    
 C   -1.310700       1.380200     -5.7700001E-02
 C   7.4299999E-02   1.534600      3.7000000E-03
 C   -3.937600     -0.4387000      0.9059000    
 C    1.016400      -3.000300      9.8000001E-03
 C    2.883000      0.3563000       1.066000    
 C    2.342900      -3.724100      9.7999997E-02
 C    4.376800      0.5589000      0.9281000    
 C   0.8697000       3.642700     -0.7574000    
 H   -3.801800      0.9111000     -0.7893000    
 H   -3.593300     -0.7719000      -1.212000    
 H   -1.456000      -1.911000     -0.9001000    
 H   -1.957000       2.229700      0.1500000    
 H   -3.720700      0.3206000       1.665900    
 H   -3.483800      -1.374000       1.253000    
 H   0.7002000      -2.703000       1.017500    
 H   0.2575000      -3.665000     -0.4170000    
 H    2.484900       1.051400       1.814100    
 H    2.677400     -0.6682000       1.394700    
 H   -5.595600      -1.325400      0.1149000    
 H   -5.816300      0.2408000      0.4945000    
 H    3.116700      -3.065800      0.5062000    
 H    2.263100      -4.610700      0.7332000    
 H    2.680800      -4.032100     -0.8970000    
 H    4.884900      0.3838000       1.880500    
 H    4.789800     -0.1223000      0.1769000    
 H    4.598300       1.576900      0.5909000    
 H  -5.2600000E-02   3.886600      -1.294100    
 H    1.600400       3.204700      -1.444800    
 H    1.287900       4.564300     -0.3436000    


%chk=000045367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045367

0 1
O 1.384178 -1.719447 -0.127415
O 2.257576 0.916913 -0.014109
O 0.327101 3.040391 -0.080891
N -5.480321 -0.635195 1.065896
C -1.919699 0.094085 -0.345136
C -3.411412 -0.190592 -0.394029
C -0.989517 -0.976063 -0.288780
C 0.396647 -0.718601 -0.178897
C 0.881366 0.622440 -0.106577
C -1.439571 1.421226 -0.303208
C -0.054976 1.688293 -0.186962
C -4.033942 -0.365392 1.035107
C 0.947868 -3.122217 -0.269297
C 2.926620 0.489928 1.249688
C 2.208454 -3.982439 -0.233627
C 4.379191 0.947868 1.152101
C 1.317973 3.529358 -1.064685
H -3.945371 0.635015 -0.903741
H -3.614069 -1.114430 -0.972244
H -1.361171 -2.004255 -0.342439
H -2.123782 2.274399 -0.356202
H -3.835548 0.549027 1.624729
H -3.510949 -1.190642 1.554707
H 0.258869 -3.382864 0.560608
H 0.405730 -3.241416 -1.229693
H 2.402116 0.968026 2.100947
H 2.848857 -0.608622 1.338993
H -5.757785 -1.523487 0.637227
H -6.064808 0.142410 0.744646
H 2.741711 -3.856308 0.724288
H 1.942825 -5.049205 -0.347910
H 2.892978 -3.701341 -1.051796
H 4.932610 0.653686 2.062891
H 4.871163 0.484703 0.279436
H 4.439669 2.045098 1.045963
H 0.893070 3.480837 -2.086484
H 2.248260 2.940400 -1.011077
H 1.502890 4.578811 -0.787623


