%chk=000012931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012931

0 1
 O   -3.349000     -0.9485000     -0.4719000    
 O  -0.6844000       2.757300     -0.3476000    
 O   -4.446000       1.291100       1.416300    
 O    5.442700      0.6872000      0.2016000    
 N  -0.1367000      0.4356000     -0.1930000    
 N   -2.276700       1.101700     -0.4595000    
 C  -0.9207000     -0.8220000     -0.1454000    
 C  -0.6075000      -1.775900      -1.320500    
 C  -0.9373000      -1.455800       1.265800    
 C   -1.201400      -3.175300      -1.164200    
 C   -1.516800      -2.869300       1.306700    
 C  -0.9357000      -3.758200      0.2165000    
 C   -2.337000     -0.2626000     -0.3853000    
 C  -0.9828000       1.569100     -0.3367000    
 C    1.303400      0.5010000     -9.0599999E-02
 C   -3.424600       1.969600     -0.6465000    
 C    1.953500       1.736100     -0.1305000    
 C    2.049300     -0.6715000      4.7100000E-02
 C   -4.002100       2.424300      0.6814000    
 C    3.343500       1.798600     -3.3199999E-02
 C    3.439500     -0.6090000      0.1445000    
 C    4.086600      0.6262000      0.1045000    
 C    6.140300     -0.5497000      0.3404000    
 H   0.4615000      -1.894800      -1.501600    
 H  -0.9876000      -1.346100      -2.258100    
 H   -1.500400     -0.8231000       1.965400    
 H   7.4299999E-02  -1.502900       1.681400    
 H  -0.7771000      -3.835900      -1.929500    
 H   -2.281400      -3.147000      -1.348700    
 H   -2.607500      -2.828600       1.204900    
 H   -1.315500      -3.313700       2.288500    
 H   -1.382300      -4.756700      0.2831000    
 H   0.1435000      -3.878900      0.3692000    
 H   -4.183500       1.411700      -1.206300    
 H   -3.121000       2.841400      -1.235400    
 H    1.456300       2.688200     -0.2390000    
 H    1.611500      -1.657400      0.1314000    
 H   -4.861700       3.080900      0.5180000    
 H   -3.264900       2.963800       1.284800    
 H    3.843500       2.762900     -6.5600000E-02
 H    3.955000      -1.556500      0.2598000    
 H   -3.658900      0.7786000       1.666900    
 H    6.003400      -1.189800     -0.5378000    
 H    5.872900      -1.059900       1.272000    
 H    7.207800     -0.3137000      0.4004000    


%chk=000012931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012931

0 1
O -3.414435 -0.814435 0.006745
O -0.497040 2.814554 -0.475584
O -5.415429 1.086581 0.354532
O 5.653124 0.708230 0.108996
N -0.041401 0.468155 -0.147240
N -2.207234 1.188804 -0.296127
C -0.903994 -0.769136 -0.016720
C -0.717948 -1.736546 -1.234989
C -0.722086 -1.459649 1.373858
C -1.468454 -3.077661 -1.053643
C -1.463394 -2.814926 1.475651
C -1.111639 -3.747599 0.293595
C -2.325756 -0.171850 -0.095375
C -0.830340 1.611692 -0.322176
C 1.400106 0.488718 -0.084859
C -3.308612 2.156986 -0.495406
C 2.111315 1.727111 -0.113438
C 2.162638 -0.705285 0.012013
C -4.405302 2.107947 0.594490
C 3.512179 1.754584 -0.047519
C 3.573026 -0.677861 0.079071
C 4.259958 0.556831 0.049713
C 6.459903 -0.510433 0.199532
H 0.357311 -1.936835 -1.377394
H -1.060428 -1.220155 -2.152171
H -1.075056 -0.766262 2.161094
H 0.353876 -1.615962 1.561130
H -1.210094 -3.742981 -1.899607
H -2.559152 -2.903559 -1.091051
H -2.554798 -2.642356 1.484493
H -1.195775 -3.290572 2.438615
H -1.660229 -4.702878 0.394122
H -0.028700 -3.994859 0.316568
H -3.784422 1.971811 -1.476958
H -2.818595 3.146471 -0.522180
H 1.559678 2.663599 -0.196129
H 1.686080 -1.685276 0.037069
H -4.952601 3.065891 0.573914
H -3.929136 2.002093 1.594314
H 4.047933 2.708258 -0.071353
H 4.112034 -1.626908 0.153029
H -4.940568 0.211185 0.244135
H 6.307933 -1.160620 -0.684316
H 6.230379 -1.078648 1.122366
H 7.503146 -0.163748 0.228888


