%chk=000057901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057901

0 1
 O  -0.2488000      -1.417400     -0.9659000    
 O    2.558800      0.8128000       2.423300    
 O    5.620800     -0.7580000     -0.9074000    
 O    5.159800      0.3909000       1.570100    
 O   0.8813000      -1.080600      -2.942800    
 N   -2.706100      5.1000002E-03 -0.7273000    
 C   -2.278000     -0.5930000      -1.970400    
 C   -2.568200       1.419200     -0.5666000    
 C   -3.456000     -0.8413000      0.1458000    
 C   -1.418000      -1.813800      -1.690800    
 C   -1.410800       2.061700      -1.006200    
 C   -4.527500      -1.582800     -0.3517000    
 C   -3.590900       2.156100      3.0700000E-02
 C   -3.117000     -0.9254000       1.496200    
 C    1.966700     -0.6895000     -0.8562000    
 C   0.8487000      -1.069900      -1.705200    
 C   -1.276100       3.441100     -0.8485000    
 C   -5.260100      -2.408400      0.5012000    
 C   -3.456300       3.535500      0.1884000    
 C   -3.849500      -1.751000       2.349200    
 C    3.275300     -0.9046000      -1.288500    
 C    1.730600     -0.1121000      0.3914000    
 C    2.802900      0.2501000       1.206600    
 C    4.347700     -0.5423000     -0.4734000    
 C    4.111400      3.5000000E-02  0.7742000    
 C   -2.298900       4.177900     -0.2512000    
 C   -4.921000      -2.492500       1.851600    
 C    1.192900      0.9980000       2.789200    
 C    6.240900      0.2934000      -1.645100    
 C    5.645300     -0.5941000       2.479300    
 H   -3.137100     -0.8758000      -2.590200    
 H   -1.707100      9.7800002E-02  -2.600400    
 H   -1.929400      -2.574100      -1.092800    
 H   -1.147000      -2.310800      -2.630200    
 H  -0.5821000       1.518600      -1.448800    
 H   -4.832000      -1.522300      -1.392200    
 H   -4.508600       1.684400      0.3716000    
 H   -2.280400     -0.3582000       1.896700    
 H  -0.3720000       3.940700      -1.184100    
 H   -6.097900      -2.981900      0.1153000    
 H   -4.253400       4.109800      0.6513000    
 H   -3.584700      -1.817600       3.400400    
 H    3.469500      -1.357900      -2.257800    
 H   0.6992000      5.2000001E-02  0.6829000    
 H   -2.193400       5.251700     -0.1272000    
 H   -5.492000      -3.134500       2.515900    
 H    1.185900       1.452300       3.785600    
 H   0.6630000      4.3000001E-02   2.873600    
 H   0.6860000       1.700100       2.118200    
 H    7.251600     -2.6100000E-02  -1.913100    
 H    6.310400       1.201600      -1.038000    
 H    5.682800      0.4974000      -2.564400    
 H    4.861300     -0.8877000       3.184500    
 H    6.010500      -1.472200       1.937300    
 H    6.476600     -0.1606000       3.042000    


%chk=000057901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057901

0 1
O -0.216058 -1.514057 -0.849310
O 3.122226 0.474294 2.407316
O 5.694326 -0.379533 -1.656248
O 5.573620 0.522936 1.029976
O 0.907497 -1.763233 -2.887127
N -2.995247 -0.084225 -0.694611
C -2.365432 -0.754171 -1.852904
C -2.636446 1.275608 -0.408386
C -3.988370 -0.778701 0.053323
C -1.475174 -1.960063 -1.498048
C -1.279534 1.694172 -0.479225
C -4.670708 -1.909223 -0.487577
C -3.635524 2.243317 -0.104198
C -4.295517 -0.394774 1.394179
C 2.104588 -0.921735 -0.930496
C 0.924934 -1.434377 -1.675079
C -0.935159 3.046120 -0.259789
C -5.634188 -2.604614 0.275004
C -3.280293 3.587269 0.130803
C -5.260411 -1.094917 2.142965
C 3.338385 -0.833732 -1.613082
C 2.001085 -0.501950 0.421048
C 3.138671 -0.005486 1.087191
C 4.484104 -0.354841 -0.945101
C 4.407046 0.042130 0.423504
C -1.928641 4.001614 0.052468
C -5.944596 -2.205964 1.593327
C 1.822783 0.521400 3.090000
C 6.447177 0.890754 -1.758849
C 5.983854 -0.088556 2.316212
H -3.146681 -1.104778 -2.558391
H -1.770886 -0.010427 -2.406969
H -1.960556 -2.614794 -0.757622
H -1.223240 -2.525748 -2.413038
H -0.497915 0.957166 -0.685602
H -4.470342 -2.248769 -1.508000
H -4.686927 1.940149 -0.069543
H -3.764175 0.446133 1.849267
H 0.116822 3.347382 -0.324253
H -6.146010 -3.464423 -0.172731
H -4.065875 4.317636 0.356098
H -5.470181 -0.775946 3.170601
H 3.417072 -1.149761 -2.656598
H 1.032170 -0.568169 0.919133
H -1.658210 5.048555 0.226364
H -6.692175 -2.748810 2.180726
H 2.033122 0.972417 4.070720
H 1.402591 -0.493334 3.225578
H 1.103848 1.151193 2.532197
H 7.345522 0.640304 -2.343053
H 6.722362 1.267206 -0.760334
H 5.845108 1.645283 -2.301215
H 5.233763 0.110396 3.097622
H 6.128807 -1.177145 2.186540
H 6.942587 0.392622 2.561318


