%chk=000063409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063409

0 1
 O   -2.149800      0.5187000       1.637100    
 O    3.602500       1.651000     -0.2824000    
 N   -3.509600      -1.265700      0.3193000    
 N  -0.3022000      0.4106000      0.1913000    
 N    2.094800     -0.1352000     -0.1451000    
 C   -4.038000     -0.1201000     -0.4345000    
 C   -4.131500      -2.522900     -0.1197000    
 C   -5.553100      1.1000000E-03 -0.2640000    
 C   -5.649800      -2.480200      6.1299998E-02
 C   -6.261300      -1.287900     -0.6653000    
 C   -2.055200      -1.340000      0.1842000    
 C   -1.515400     -4.0700000E-02  0.7395000    
 C   0.6990000     -0.5156000     -0.3500000    
 C   1.4300000E-02   1.800500      6.2799998E-02
 C    1.340500       2.197000     -0.1710000    
 C    2.456100       1.215700     -0.1980000    
 C    3.087600      -1.181100     -7.5199999E-02
 C  -0.9742000       2.799500      0.1149000    
 C    1.658800       3.558100     -0.3273000    
 C  -0.6516000       4.150100     -4.1900001E-02
 C   0.6647000       4.529900     -0.2612000    
 C    4.308100     -0.9345000      0.5463000    
 C    2.817900      -2.428400     -0.6303000    
 C    5.267600      -1.944700      0.6135000    
 C    3.777400      -3.438500     -0.5631000    
 C    5.002400      -3.196700      5.8800001E-02
 H   -3.805100     -0.2274000      -1.503000    
 H   -3.627400      0.8437000     -0.1255000    
 H   -3.892100      -2.731400      -1.170900    
 H   -3.740100      -3.357300      0.4749000    
 H   -5.787900      0.2385000      0.7814000    
 H   -5.929500      0.8310000     -0.8730000    
 H   -5.890600      -2.419600       1.130300    
 H   -6.093700      -3.409200     -0.3141000    
 H   -6.170700      -1.433500      -1.748800    
 H   -7.330500      -1.216300     -0.4379000    
 H   -1.756800      -1.477200     -0.8610000    
 H   -1.648200      -2.158200      0.7886000    
 H   0.5192000     -0.5991000      -1.429100    
 H   0.5214000      -1.486100      0.1236000    
 H   -2.022100       2.553600      0.2562000    
 H    2.681600       3.884600     -0.4986000    
 H   -1.434500       4.901800      1.5000000E-03
 H   0.9178000       5.578600     -0.3836000    
 H    4.539000      2.4999999E-03   1.041500    
 H    1.890200      -2.651300      -1.148300    
 H    6.216700      -1.761100       1.108800    
 H    3.573700      -4.411800      -1.000000    
 H    5.749000      -3.983700      0.1124000    


%chk=000063409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063409

0 1
O -2.398436 1.497049 0.430734
O 3.620204 1.390588 0.742844
N -3.247291 -1.163208 0.016111
N -0.291624 1.153954 -0.513791
N 1.917432 0.147305 -0.312479
C -4.361211 -0.555870 -0.758591
C -3.375583 -2.640629 0.111481
C -5.722611 -0.896471 -0.121549
C -4.707878 -3.033016 0.781098
C -5.905019 -2.424737 0.015803
C -1.922046 -0.757966 -0.456092
C -1.583963 0.716638 -0.128861
C 0.712244 0.292741 -1.164679
C 0.221429 2.466032 -0.232050
C 1.626263 2.560950 0.009477
C 2.488162 1.344645 0.175191
C 2.526810 -1.145756 -0.147830
C -0.580313 3.633098 -0.211336
C 2.213349 3.830033 0.233776
C 0.026549 4.886868 0.010855
C 1.422742 4.993890 0.225456
C 3.203231 -1.479144 1.055660
C 2.434244 -2.111670 -1.184901
C 3.762404 -2.763565 1.213108
C 2.988785 -3.398576 -1.011188
C 3.655287 -3.733140 0.188237
H -4.346190 -0.924929 -1.820823
H -4.216411 0.536321 -0.769762
H -3.323005 -3.121753 -0.902900
H -2.526523 -3.028935 0.705862
H -5.768757 -0.423713 0.877753
H -6.531937 -0.459509 -0.737561
H -4.703846 -2.656488 1.821853
H -4.786180 -4.136627 0.820820
H -5.966976 -2.881889 -0.994143
H -6.854055 -2.658042 0.534330
H -1.797995 -0.911148 -1.565097
H -1.169891 -1.404573 0.037865
H 0.988361 0.758556 -2.132416
H 0.297533 -0.701844 -1.357940
H -1.657326 3.553681 -0.359184
H 3.287728 3.864124 0.440658
H -0.597783 5.787123 0.013974
H 1.881201 5.973136 0.396534
H 3.299196 -0.733704 1.847048
H 1.965994 -1.859195 -2.143144
H 4.281158 -3.008469 2.146410
H 2.911551 -4.131712 -1.821659
H 4.090393 -4.729356 0.320438


