%chk=000057571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057571

0 1
 O   0.3322000      0.1533000     -0.2407000    
 O   -1.016500       1.771800      0.6997000    
 O    2.814500      -2.070700     -0.3380000    
 O    3.027600     -0.8711000       1.497700    
 N   -4.377300     -0.7430000     -2.4900001E-02
 N    2.860000     -0.9970000      0.2772000    
 C   -5.247800     -0.2078000      -1.062100    
 C   -5.684200     -0.2401000      0.3735000    
 C   -3.332600      0.2155000      0.3132000    
 C   -1.971200     -0.3009000     -0.1429000    
 C    2.723800      0.2487000     -0.5175000    
 C    1.478100      0.9670000     -1.3000000E-02
 C  -0.8637000      0.6809000      0.1676000    
 C    3.992400       1.077000     -0.3171000    
 C    5.264600      0.3164000     -0.6729000    
 H   -5.023700      0.7492000      -1.514400    
 H   -5.675300     -0.9398000      -1.735300    
 H   -6.405900     -0.9911000      0.6662000    
 H   -5.739200      0.6945000      0.9166000    
 H   -3.302300      0.3365000       1.405100    
 H   -3.496100       1.223800     -9.2699997E-02
 H   -1.978000     -0.4658000      -1.226800    
 H   -1.740900      -1.246800      0.3612000    
 H    2.603300     -5.0000001E-02  -1.565600    
 H    1.357100       1.906800     -0.5660000    
 H    1.550300       1.206300       1.055700    
 H    3.931200       1.972100     -0.9485000    
 H    4.074500       1.435000      0.7173000    
 H    5.206500     -9.4400004E-02  -1.686000    
 H    5.465800     -0.5022000      2.4400000E-02
 H    6.124100      0.9940000     -0.6350000    


%chk=000057571-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057571

0 1
O 0.318810 0.191316 -0.067684
O -0.921201 1.775474 1.103738
O 3.042602 -2.129038 -0.581483
O 3.023129 -1.167442 1.487093
N -4.461749 -0.600670 0.220153
N 2.924624 -1.121666 0.204889
C -5.064726 -0.589557 -1.165683
C -5.853494 -0.058312 0.022930
C -3.402331 0.412892 0.473203
C -2.039960 -0.208105 0.122237
C 2.705267 0.263406 -0.439576
C 1.543590 0.966656 0.255555
C -0.880566 0.706687 0.454317
C 4.022568 1.069760 -0.326604
C 5.229967 0.386687 -1.001064
H -4.691261 0.151301 -1.887643
H -5.295420 -1.573106 -1.585892
H -6.656964 -0.656936 0.462394
H -5.999932 1.029600 0.080040
H -3.427144 0.673485 1.545978
H -3.551363 1.358699 -0.101891
H -1.987912 -0.488403 -0.946051
H -1.914972 -1.152361 0.686680
H 2.460912 0.036688 -1.490669
H 1.437267 1.999985 -0.120453
H 1.685621 0.993401 1.349930
H 3.837731 2.053330 -0.800045
H 4.234703 1.256828 0.743218
H 5.030504 0.177272 -2.067664
H 5.485168 -0.569888 -0.512202
H 6.117832 1.040113 -0.941751


