%chk=000045709.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045709

0 1
 O   -1.385600      0.3925000      0.9536000    
 O  -0.3661000       1.182000     -0.9633000    
 N   -5.302400     -0.2415000     -0.3793000    
 C   -2.660800      0.7212000      0.4172000    
 C   -3.736600      0.3601000       1.436600    
 C   -2.891100     -3.9500002E-02 -0.8855000    
 C   -5.137800      0.5410000      0.8542000    
 C   -4.318100      0.1542000      -1.396800    
 C   0.9447000      0.2830000      0.8400000    
 C    1.385000      -1.124500      0.4769000    
 C    2.135000       1.106800      0.3813000    
 C  -0.3211000      0.6789000      0.1512000    
 C    2.670100      -1.102000     -0.1112000    
 C    3.130800      0.2688000     -0.1700000    
 C   -6.662000     -9.6799999E-02 -0.8993000    
 C   0.7020000      -2.314200      0.6701000    
 C    2.312700       2.478000      0.4648000    
 C    3.278900      -2.277400     -0.5192000    
 C    4.314100      0.8038000     -0.6521000    
 C    1.316100      -3.498500      0.2586000    
 C    3.505300       3.016400     -2.1500001E-02
 C    2.591500      -3.480100     -0.3309000    
 C    4.495700       2.187800     -0.5753000    
 H   -2.700100       1.803500      0.2341000    
 H   -3.618400      0.9784000       2.334700    
 H   -3.598800     -0.6772000       1.770700    
 H   -2.692900      -1.108500     -0.7269000    
 H   -2.223700      0.2640000      -1.694300    
 H   -5.865200      0.2082000       1.604600    
 H   -5.324900       1.607000      0.6689000    
 H   -4.464100       1.200300      -1.696900    
 H   -4.447000     -0.4635000      -2.294200    
 H   0.8544000      0.3849000       1.928000    
 H   -6.801600     -0.7193000      -1.790100    
 H   -6.896400      0.9409000      -1.163100    
 H   -7.395100     -0.4390000     -0.1603000    
 H  -0.2810000      -2.333500       1.127600    
 H    1.551400       3.120000      0.8940000    
 H    4.264300      -2.280000     -0.9733000    
 H    5.089400      0.1768000      -1.079800    
 H   0.8035000      -4.446900      0.3961000    
 H    3.671900       4.089200      2.8999999E-02
 H    3.049500      -4.415200     -0.6429000    
 H    5.416300       2.630200     -0.9469000    


%chk=000045709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045709

0 1
O -1.370674 0.350437 0.803491
O -0.345612 1.551057 -0.920407
N -5.456951 -0.259473 -0.243333
C -2.722789 0.638093 0.213378
C -3.733579 0.559487 1.361848
C -3.051288 -0.384989 -0.885784
C -5.161139 0.747709 0.802983
C -4.500197 -0.168815 -1.372930
C 1.020466 0.371847 0.801132
C 1.404742 -1.055063 0.371323
C 2.269731 1.173244 0.448900
C -0.261330 0.846378 0.107270
C 2.735551 -1.060979 -0.143207
C 3.271408 0.312841 -0.089619
C -6.861184 -0.202310 -0.693632
C 0.648209 -2.235788 0.441559
C 2.509696 2.547883 0.601807
C 3.317358 -2.267796 -0.589099
C 4.528972 0.829921 -0.469899
C 1.235405 -3.445747 -0.008510
C 3.771709 3.067448 0.219111
C 2.557385 -3.459168 -0.518660
C 4.772000 2.213997 -0.310083
H -2.685511 1.656628 -0.220571
H -3.516874 1.333989 2.120191
H -3.659537 -0.431019 1.846163
H -2.957473 -1.405115 -0.469825
H -2.348989 -0.279498 -1.731626
H -5.896475 0.631466 1.620233
H -5.269558 1.793330 0.405929
H -4.572746 0.824986 -1.891097
H -4.759882 -0.943924 -2.117070
H 0.820417 0.390455 1.890451
H -7.053881 -1.015784 -1.415725
H -7.131740 0.766960 -1.185342
H -7.535236 -0.346224 0.169776
H -0.373400 -2.220510 0.835794
H 1.736130 3.214966 0.997734
H 4.339382 -2.287014 -0.983762
H 5.305052 0.176439 -0.883817
H 0.662612 -4.378588 0.038572
H 3.975479 4.138368 0.328690
H 2.994574 -4.403521 -0.862148
H 5.741564 2.633699 -0.601090


