%chk=000012939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012939

0 1
 O  -0.1407000       1.985100      -1.200400    
 O   -2.305600      -1.185800       1.428100    
 O    2.264200     -0.9802000       1.461300    
 N   -1.272300      0.3612000      1.6899999E-02
 N    1.112800      0.4769000      4.5200001E-02
 C   -2.530700      0.9790000     -0.3253000    
 C    2.310600       1.216400     -0.2720000    
 C   2.0999999E-03  -1.502400      0.9483000    
 C   -3.422200      2.0999999E-03  -1.096300    
 C   -3.231800       1.499900      0.9316000    
 C    2.943200       1.793700      0.9970000    
 C    3.300200      0.3327000      -1.035200    
 C   -4.780700      0.6177000      -1.421400    
 C   -4.591400       2.112200      0.6045000    
 C    4.242000       2.534700      0.6906000    
 C    4.599500       1.074700      -1.338000    
 C  -0.1027000       1.003600     -0.4501000    
 C   6.0699999E-02  -2.559800     -0.1516000    
 C   -1.303800     -0.7617000      0.8498000    
 C    1.235800     -0.6442000      0.8722000    
 C   -5.477000       1.138100     -0.1671000    
 C    5.226200       1.652600     -7.2300002E-02
 C    1.408600      -3.301300     -9.5200002E-02
 C   -1.131100      -3.510500     -2.1800000E-02
 C    1.584000      -4.334600      -1.198800    
 H   -2.367000       1.843100     -0.9803000    
 H    2.076100       2.065800     -0.9247000    
 H   1.7600000E-02  -1.976300       1.940100    
 H   -3.600500     -0.9254000     -0.5430000    
 H   -2.925900     -0.2931000      -2.029400    
 H   -2.603100       2.259300       1.414000    
 H   -3.403400      0.7312000       1.688300    
 H    3.176400       1.038200       1.750700    
 H    2.238700       2.486300       1.475100    
 H    2.847100     -3.8999999E-03  -1.976200    
 H    3.560500     -0.5751000     -0.4825000    
 H   -5.415600     -0.1274000      -1.914100    
 H   -4.646700       1.442000      -2.132800    
 H   -4.447100       3.022600      9.6000005E-03
 H   -5.093800       2.414700       1.530400    
 H    4.701100       2.879000       1.624300    
 H    4.019600       3.430100      9.6900001E-02
 H    4.398700       1.886100      -2.048500    
 H    5.308500      0.3950000      -1.824000    
 H  -1.1700000E-02  -2.074500      -1.135200    
 H   -6.414900       1.632300     -0.4441000    
 H   -5.739800      0.2929000      0.4810000    
 H    6.116800       2.234700     -0.3344000    
 H    5.559100      0.8329000      0.5763000    
 H    1.540000      -3.787200      0.8790000    
 H    2.242500      -2.609000     -0.2331000    
 H   -1.174200      -3.965100      0.9739000    
 H   -1.077300      -4.321200     -0.7544000    
 H   -2.083300      -3.009700     -0.2182000    
 H    2.612200      -4.712000      -1.198000    
 H    1.385500      -3.900000      -2.183600    
 H   0.9250000      -5.195500      -1.056100    


%chk=000012939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012939

0 1
O -0.148184 1.757881 -1.211262
O -2.282242 -1.309809 1.600524
O 2.321038 -1.063312 1.589295
N -1.285533 0.173150 0.083010
N 1.150169 0.324975 0.109977
C -2.589645 0.848531 -0.267057
C 2.371222 1.145026 -0.231438
C 0.044137 -1.710583 0.989773
C -3.615774 -0.133269 -0.879317
C -3.173050 1.621922 0.942156
C 2.903714 1.927883 0.994375
C 3.474672 0.295022 -0.904427
C -4.886370 0.644758 -1.305706
C -4.450450 2.384213 0.511165
C 4.086692 2.830220 0.563913
C 4.651169 1.209642 -1.327492
C -0.096416 0.788831 -0.405315
C 0.123282 -2.750367 -0.216265
C -1.265523 -0.939849 0.954153
C 1.259883 -0.797497 0.960960
C -5.493181 1.428562 -0.116306
C 5.204678 2.009425 -0.123374
C 1.319288 -3.720073 -0.000398
C -1.206692 -3.523958 -0.370163
C 1.717409 -4.488512 -1.280161
H -2.310872 1.583314 -1.043622
H 2.001819 1.876708 -0.972482
H 0.067797 -2.285820 1.930367
H -3.887461 -0.905195 -0.137738
H -3.166949 -0.642092 -1.754799
H -2.416828 2.332129 1.328654
H -3.413129 0.909172 1.751445
H 3.234378 1.216273 1.771683
H 2.090183 2.544174 1.423482
H 3.056627 -0.224178 -1.788837
H 3.841308 -0.473512 -0.200730
H -5.630416 -0.062210 -1.719995
H -4.631064 1.355551 -2.118980
H -4.181739 3.167478 -0.227688
H -4.883695 2.904932 1.386389
H 4.488060 3.360452 1.448565
H 3.721440 3.608531 -0.138133
H 4.309328 1.917519 -2.110843
H 5.452235 0.594398 -1.780117
H 0.306377 -2.167642 -1.144311
H -6.380720 1.999630 -0.450597
H -5.841171 0.710504 0.653912
H 6.019980 2.680801 -0.455445
H 5.645028 1.304793 0.611458
H 1.047718 -4.438285 0.799847
H 2.197438 -3.161147 0.370869
H -1.494917 -4.006272 0.581529
H -1.096923 -4.310882 -1.136933
H -2.041111 -2.871272 -0.678648
H 2.583221 -5.146702 -1.084516
H 2.004010 -3.788850 -2.088347
H 0.896760 -5.124210 -1.659058


