%chk=000003179.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003179

0 1
 O    1.226500      -3.310900     -0.3080000    
 O   -6.268200      -1.727800      0.3127000    
 O   -4.750300      -3.356600      0.7563000    
 N    4.445100      -1.911200     -0.1462000    
 N    6.344400      -1.249400      -1.333300    
 N    3.284200       4.661900      0.3252000    
 N    2.899300       2.775100       1.649300    
 C   -3.998000      -1.189500     -0.1135000    
 C   -4.082100      0.1125000      0.7290000    
 C   -3.204200       1.214000      0.2378000    
 C   -2.588200      -1.762100     -0.1664000    
 C   -1.898100       1.329400      0.7144000    
 C   -1.058500       2.360100      0.2614000    
 C   -1.550700       3.286500     -0.6885000    
 C   -3.688200       2.125000     -0.6963000    
 C   -5.003800      -2.222500      0.3767000    
 C   -1.964900      -1.887500      -1.390600    
 C   -1.977600      -2.137300       1.012400    
 C   -2.867900       3.155100      -1.157400    
 C   0.2588000       2.491400      0.7303000    
 C  -3.3599999E-02  -2.798800     -0.2607000    
 C  -0.6732000      -2.411800      -1.438400    
 C  -0.6859000      -2.661400      0.9647000    
 C  -0.7110000       4.317100      -1.141500    
 C    5.889100      -1.967400     -0.1449000    
 C    1.079000       3.521500      0.2692000    
 C    2.339000      -2.515800     -0.2202000    
 C   0.5950000       4.432600     -0.6649000    
 C    3.612200      -2.993300     -0.2629000    
 C    3.698600     -0.7676000     -3.1399999E-02
 C    2.369100      -1.125300     -7.5700000E-02
 C    6.523800      -1.429900       1.135600    
 C    2.440500       3.643700      0.7657000    
 H   -4.305400     -0.9507000      -1.142300    
 H   -3.855700     -9.7199999E-02   1.783400    
 H   -5.119300      0.4745000      0.7477000    
 H   -1.528400      0.6302000       1.461000    
 H   -4.702900       2.043900      -1.077200    
 H   -2.452000      -1.588800      -2.313800    
 H   -2.472600      -2.040300       1.973600    
 H   -3.267000       3.855500      -1.888300    
 H   0.6266000       1.773000       1.460600    
 H  -0.1714000      -2.516300      -2.396600    
 H  -0.1943000      -2.962000       1.886000    
 H   -1.069100       5.040200      -1.871600    
 H    6.172600      -3.020700     -0.2554000    
 H    1.189500       5.250900      -1.056000    
 H    4.001400      -3.997600     -0.3647000    
 H    4.161600      0.2047000      7.3399998E-02
 H    1.540900     -0.4341000     -8.3999997E-03
 H    6.146500      -1.971000       2.010400    
 H    7.612500      -1.548000       1.108900    
 H    6.305800     -0.3667000       1.287100    
 H   -6.932600      -2.384000      0.6131000    
 H    6.189000     -0.2480000      -1.218100    
 H    7.354400      -1.357300      -1.424300    
 H    3.014200       5.367500     -0.3484000    
 H    4.231700       4.729400      0.6823000    
 H    3.869400       3.024100       1.872300    


%chk=000003179-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003179

0 1
O 1.140371 -3.525285 -0.648011
O -6.005553 -2.468542 -0.526945
O -5.283072 -2.464161 1.677815
N 4.210439 -1.712170 -0.020455
N 6.346965 -2.499730 -0.789595
N 3.258727 4.967738 0.841725
N 3.481933 2.583516 1.173049
C -4.065047 -1.119803 -0.016300
C -3.881207 0.065646 0.998406
C -2.966029 1.154016 0.460824
C -2.746037 -1.873543 -0.229557
C -1.633175 1.274825 0.872441
C -0.776966 2.307081 0.357854
C -1.312741 3.242099 -0.611975
C -3.477824 2.085504 -0.508124
C -5.141210 -2.064607 0.499686
C -2.029747 -1.713503 -1.440419
C -2.179576 -2.654176 0.810931
C -2.675955 3.099130 -1.030628
C 0.582817 2.452914 0.784456
C -0.175728 -3.003566 -0.531086
C -0.743753 -2.273876 -1.596351
C -0.895812 -3.219569 0.663074
C -0.462796 4.278168 -1.117752
C 5.680279 -1.665805 0.212999
C 1.389239 3.490608 0.297680
C 2.161943 -2.581170 -0.350895
C 0.852109 4.406067 -0.672318
C 3.522924 -2.895226 -0.347984
C 3.290857 -0.680911 0.194749
C 2.003298 -1.193058 -0.011698
C 6.174504 -0.199334 0.260083
C 2.792476 3.648492 0.804153
H -4.409872 -0.722198 -0.986412
H -3.493318 -0.349081 1.944823
H -4.879920 0.491594 1.217656
H -1.225109 0.569059 1.606660
H -4.524579 1.998671 -0.826346
H -2.465322 -1.123143 -2.254900
H -2.737857 -2.807157 1.742023
H -3.083525 3.806906 -1.762499
H 1.011432 1.755407 1.512917
H -0.166259 -2.128619 -2.514483
H -0.433343 -3.804064 1.464349
H -0.859615 4.969712 -1.870583
H 5.891038 -2.138639 1.195073
H 1.496830 5.180912 -1.102896
H 4.052454 -3.812856 -0.578803
H 3.564356 0.336125 0.477356
H 1.078529 -0.624547 0.054488
H 5.703412 0.372793 1.078748
H 7.266815 -0.200304 0.420711
H 5.955545 0.315184 -0.693129
H -6.667988 -3.116732 -0.160500
H 6.355097 -2.122899 -1.740641
H 7.224340 -2.930371 -0.497040
H 2.623143 5.752797 0.716252
H 4.214410 5.168064 1.130049
H 4.418256 2.826610 1.561895


