%chk=000032888.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032888

0 1
 O    5.038500     -0.8682000      0.8204000    
 O    5.797200       1.047700     -0.3029000    
 O   -1.932900      -2.020600      0.3661000    
 N    1.816800     -0.2499000     -0.6168000    
 N   -4.297700       1.864400     -1.5300000E-02
 C    4.660000      0.2050000     -6.0100000E-02
 C    3.551700       1.037100      0.5877000    
 C    4.165500     -0.3858000      -1.382000    
 C  -0.5486000     -4.3900002E-02  5.7799999E-02
 C    2.243100      0.2508000      0.6975000    
 C    2.836500      -1.125800      -1.211000    
 C   0.5394000     -0.9538000     -0.5064000    
 C  -0.6983000       1.219300     -0.8222000    
 C   -1.801000       2.161500     -0.3111000    
 C   -1.882900     -0.8062000      0.1937000    
 C   -3.085700      6.5000001E-03  0.1753000    
 C   -3.026200       1.364300     -5.6600001E-02
 C    6.321700     -0.4936000       1.318500    
 C    6.911200      0.3050000      0.1895000    
 C   -4.449000     -0.3293000      0.3536000    
 C   -5.175200      0.8380000      0.2327000    
 C   -5.004000      -1.671900      0.6224000    
 C   -6.627000       1.087400      0.3261000    
 C   -5.353300      -2.438000     -0.6572000    
 H    3.389000       1.955300      7.7000000E-03
 H    3.861900       1.357900       1.590100    
 H    4.912000      -1.081900      -1.784200    
 H    4.055400      0.4125000      -2.127600    
 H  -0.3277000      0.2538000       1.089900    
 H    2.358600     -0.5720000       1.415000    
 H    1.529000      0.9604000       1.123300    
 H    2.505400      -1.460900      -2.201600    
 H    2.986900      -2.024600     -0.5987000    
 H   0.2262000      -1.309800      -1.497000    
 H   0.6449000      -1.846600      0.1249000    
 H  -0.9428000      0.9157000      -1.849700    
 H   0.2350000       1.790800     -0.8728000    
 H   -1.989100       2.948300      -1.049500    
 H   -1.478100       2.642500      0.6195000    
 H    6.909300      -1.377200       1.578900    
 H    6.174000      0.1206000       2.213300    
 H    7.715000      0.9748000      0.5046000    
 H    7.273200     -0.3420000     -0.6168000    
 H   -4.551000       2.833900     -0.1504000    
 H   -4.305600      -2.267300       1.220600    
 H   -5.911100      -1.584600       1.233600    
 H   -6.977000      0.9226000       1.350200    
 H   -6.884300       2.113600      4.3699998E-02
 H   -7.177900      0.4126000     -0.3369000    
 H   -6.096500      -1.896200      -1.251500    
 H   -5.765200      -3.420900     -0.4081000    
 H   -4.465800      -2.586900      -1.281300    


%chk=000032888-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032888

0 1
O 5.255386 -1.085168 0.497360
O 5.851237 1.149294 -0.064242
O -1.966324 -1.950113 0.513343
N 1.828760 -0.223769 -0.413021
N -4.435882 1.930471 -0.228236
C 4.699754 0.203434 -0.004820
C 3.654259 0.769549 0.966747
C 4.107544 -0.043115 -1.397036
C -0.644417 0.061236 -0.030492
C 2.379567 -0.099268 0.961968
C 2.816725 -0.884736 -1.306080
C 0.501125 -0.895685 -0.435722
C -0.806656 1.220417 -1.047705
C -1.902070 2.227904 -0.616517
C -1.969930 -0.712875 0.205289
C -3.189064 0.088083 0.096154
C -3.140002 1.452267 -0.267512
C 6.556321 -0.765870 1.120643
C 7.077444 0.377527 0.232849
C -4.580715 -0.260380 0.362927
C -5.333353 0.901085 0.154329
C -5.104941 -1.619630 0.763594
C -6.807721 1.168115 0.265582
C -5.168048 -2.617375 -0.423680
H 3.408527 1.798638 0.647372
H 4.085024 0.816295 1.983716
H 4.857780 -0.551443 -2.028375
H 3.872740 0.939308 -1.844716
H -0.392335 0.515484 0.955218
H 2.621928 -1.104878 1.389370
H 1.619612 0.362984 1.617324
H 2.369544 -0.983044 -2.312262
H 3.074713 -1.912370 -0.947004
H 0.313549 -1.244993 -1.469749
H 0.468581 -1.797974 0.215987
H -1.075591 0.794835 -2.035492
H 0.170891 1.723375 -1.157014
H -2.094006 2.961550 -1.424515
H -1.544160 2.807617 0.261592
H 7.166030 -1.682360 1.087289
H 6.420691 -0.434852 2.169951
H 7.780177 1.058217 0.740206
H 7.528570 -0.010105 -0.701730
H -4.716507 2.884464 -0.453745
H -4.441471 -2.049487 1.536031
H -6.111957 -1.517303 1.213460
H -7.035255 1.971838 0.993415
H -7.256320 1.459361 -0.704793
H -7.329578 0.258839 0.605931
H -5.809555 -2.231120 -1.237322
H -5.573248 -3.592010 -0.093554
H -4.153872 -2.787863 -0.823408


