%chk=000074302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074302

0 1
 O    3.910800     -0.6934000      0.1082000    
 O  -0.9108000      -2.039000       1.121300    
 O    2.524600      0.9651000     -0.6979000    
 N   -1.914800     -0.2555000      0.2410000    
 N   -3.287800       1.450500     -0.1391000    
 N  -0.9806000       1.902500      0.3532000    
 N   0.3317000     -0.3535000      0.1371000    
 N   -1.074400       3.347700      0.2693000    
 N   -1.133200       4.432000      0.2089000    
 C   -3.139800     -0.8198000     -6.3000000E-03
 C    6.311000     -0.7423000      7.7000000E-03
 C   -3.979800      0.2655000     -0.2405000    
 C    7.573900     -6.5000001E-03 -0.4307000    
 C   -2.054200       1.101400      0.1501000    
 C    5.053800      4.1499998E-02 -0.3415000    
 C   -3.572200      -2.145900     -4.4000000E-02
 C   -5.334600      3.2600001E-02 -0.5312000    
 C  -0.7515000     -0.9498000      0.5300000    
 C    8.828300     -0.7721000     -4.1700002E-02
 C   -4.923800      -2.359200     -0.3349000    
 C   -5.790900      -1.290700     -0.5744000    
 C    1.613800      -1.002700      0.3936000    
 C    2.700700     -0.1084000     -0.1382000    
 H    6.333900     -0.9249000       1.089400    
 H    6.265200      -1.732900     -0.4618000    
 H    7.561800      0.1390000      -1.517200    
 H    7.604700      0.9881000      2.9400000E-02
 H    5.070100       1.020200      0.1522000    
 H    4.988100      0.1846000      -1.426400    
 H   -2.931300      -3.005500      0.1025000    
 H   -6.016400      0.8559000     -0.7192000    
 H    8.887100     -0.9037000       1.043500    
 H    8.844700      -1.761600     -0.5095000    
 H    9.720600     -0.2279000     -0.3665000    
 H   -5.304800      -3.376500     -0.3827000    
 H   -6.835800      -1.488200     -0.7996000    
 H    1.776500      -1.131900       1.469400    
 H    1.676000      -1.962500     -0.1310000    
 H  -7.3600002E-02   1.512700      0.5927000    


%chk=000074302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074302

0 1
O 4.012731 -0.669141 0.098072
O -0.851039 -2.310885 0.277796
O 2.625367 1.183093 -0.211750
N -1.996488 -0.286754 -0.090069
N -3.455317 1.481271 -0.420272
N -1.044754 1.923680 -0.459038
N 0.383595 -0.364112 -0.033060
N -1.196681 3.165924 -0.673774
N -1.144356 4.326766 -0.872380
C -3.315382 -0.826411 -0.016835
C 6.448126 -0.699981 0.059204
C -4.194539 0.288934 -0.224363
C 7.764663 0.110781 -0.018828
C -2.179004 1.100536 -0.333797
C 5.224404 0.211622 -0.004482
C -3.799800 -2.130671 0.203822
C -5.594600 0.111033 -0.213706
C -0.786770 -1.066814 0.065663
C 9.012502 -0.796903 0.025596
C -5.203792 -2.289222 0.211484
C -6.087735 -1.191503 0.007070
C 1.658097 -1.060836 0.110254
C 2.786654 -0.046130 -0.021396
H 6.422668 -1.283421 0.999356
H 6.405856 -1.427527 -0.773758
H 7.776285 0.710265 -0.951623
H 7.803648 0.835108 0.819788
H 5.192290 0.934624 0.831390
H 5.163393 0.773638 -0.954419
H -3.116755 -2.966531 0.359340
H -6.259864 0.964468 -0.372456
H 9.041132 -1.387013 0.960561
H 9.015746 -1.508226 -0.821214
H 9.942468 -0.202701 -0.028051
H -5.622341 -3.287476 0.379861
H -7.169149 -1.364531 0.021844
H 1.732651 -1.573137 1.088581
H 1.778351 -1.851428 -0.654945
H 0.394740 0.654510 -0.204266


