%chk=000065903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065903

0 1
 O    5.264600     -0.8159000      0.2290000    
 O  -0.6059000       3.900900      0.1587000    
 O   0.9289000       2.386200      0.5704000    
 N    2.519500     -0.6336000     -0.2967000    
 N   0.4015000     -3.0999999E-02  0.6238000    
 N   0.7868000     -0.1619000      -1.669500    
 N   -3.535500       1.100700     -0.2491000    
 N  -0.2561000       2.705200      0.3088000    
 C    3.487500     -0.2732000      -1.329800    
 C    3.011000      -1.572600      0.7087000    
 C    4.781400      0.1864000     -0.6691000    
 C    4.325500      -1.055900       1.280200    
 C    1.219300     -0.2700000     -0.3688000    
 C  -0.9235000      0.3373000      0.3308000    
 C   -1.923400     -0.6351000      0.1930000    
 C   -3.233600     -0.2031000     -0.1012000    
 C   -1.231600       1.681500      0.1790000    
 C   -1.643800      -2.004100      0.3407000    
 C   -2.541600       2.007300     -0.1081000    
 C   -4.226500      -1.169400     -0.2381000    
 C   -2.655900      -2.949100      0.1985000    
 C   -3.948700      -2.530700     -9.1200002E-02
 H    3.139500      0.5442000      -1.971500    
 H    3.676800      -1.150600      -1.959300    
 H    3.167900      -2.544900      0.2272000    
 H    2.287800      -1.715200       1.519100    
 H    5.551300      0.3562000      -1.428400    
 H    4.640000       1.125600     -0.1205000    
 H    4.178000     -0.1318000       1.852100    
 H    4.759600      -1.800300       1.954900    
 H  -0.1512000      0.1310000      -1.917300    
 H    1.339900     -0.5119000      -2.444000    
 H  -0.6436000      -2.362200      0.5718000    
 H   -2.875000       3.031900     -0.2439000    
 H   -5.247400     -0.8677000     -0.4649000    
 H   -2.436600      -4.006000      0.3143000    
 H   -4.744700      -3.261100     -0.2036000    


%chk=000065903-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065903

0 1
O 5.008689 -0.885344 0.859912
O -0.797243 3.936630 0.436320
O 0.610046 2.709749 -0.871052
N 2.590217 -0.796915 -0.710901
N 0.445629 -0.085010 -0.138393
N 1.321791 0.453331 -2.286359
N -3.658000 1.023504 0.464130
N -0.466192 2.824070 -0.136360
C 3.901801 -0.543814 -1.346843
C 2.675397 -1.638122 0.505185
C 4.899775 0.009245 -0.299735
C 3.687724 -1.041404 1.500361
C 1.421646 -0.109110 -1.025529
C -0.849739 0.323641 -0.078324
C -1.886307 -0.702695 0.098852
C -3.251374 -0.312921 0.353494
C -1.331830 1.670911 0.019105
C -1.569790 -2.091885 0.013193
C -2.711426 1.952039 0.313264
C -4.249639 -1.320168 0.510464
C -2.565017 -3.064911 0.166796
C -3.914942 -2.676487 0.417711
H 3.799871 0.190202 -2.163158
H 4.294794 -1.491656 -1.765235
H 3.012412 -2.651604 0.208840
H 1.672742 -1.694781 0.958629
H 5.915090 0.070374 -0.725169
H 4.571648 1.019293 0.027734
H 3.327304 -0.057788 1.868703
H 3.853584 -1.719213 2.353144
H 0.793688 1.326743 -2.348321
H 1.900460 0.146654 -3.063425
H -0.531338 -2.381213 -0.176122
H -3.008721 3.002259 0.403935
H -5.273541 -0.986605 0.704231
H -2.308352 -4.127507 0.096993
H -4.688660 -3.442393 0.539930


