%chk=000055227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055227

0 1
 O   -2.719700     -0.8156000       1.023000    
 O    4.177400       1.080500      0.1167000    
 N    1.419900      0.6949000      0.5257000    
 N  -0.7280000      0.4492000     -0.4941000    
 C   -3.326100      -2.084200      0.7850000    
 C   -3.048700      0.1970000      0.1725000    
 C   -2.070200      0.8359000     -0.5891000    
 C    2.206100     -0.2596000     -0.1567000    
 C   -2.242000      -3.110200      0.4922000    
 C   -4.163400      -2.473700       1.993700    
 C    3.571300     -4.8400000E-02 -0.3481000    
 C   7.6099999E-02   1.004200      0.3741000    
 C   -4.382300      0.5921000      6.7800000E-02
 C   -2.425100       1.870100      -1.455100    
 C    1.604900      -1.421500     -0.6399000    
 C    4.335700     -0.9995000      -1.023900    
 C   -4.737300       1.626300     -0.7984000    
 C   -3.758800       2.265400      -1.559700    
 C  -0.4129000       2.107900       1.309900    
 C    2.369400      -2.372700      -1.315700    
 C    3.734700      -2.161500      -1.507700    
 C    5.233300      0.9071000       1.059200    
 C    5.285900       2.116200       1.968700    
 H   -3.986400      -2.052200     -9.2399999E-02
 H   -2.666800      -4.105100      0.3281000    
 H   -1.677000      -2.822800     -0.4008000    
 H   -1.522400      -3.165900       1.316300    
 H   -4.643600      -3.446200       1.847900    
 H   -4.941300      -1.728700       2.188200    
 H   -3.544200      -2.522000       2.896400    
 H    1.977100       1.300500       1.123900    
 H   -5.157500      0.1148000      0.6599000    
 H   -1.670400       2.374100      -2.053100    
 H   0.5557000      -1.642600     -0.4773000    
 H    5.398700     -0.8459000      -1.188800    
 H   -5.775200       1.935800     -0.8781000    
 H   -4.035300       3.071100      -2.233500    
 H    1.903600      -3.281800      -1.684700    
 H  -0.7270000       2.977200      0.7257000    
 H   -1.249500       1.746700       1.913800    
 H   0.3796000       2.426600       1.993300    
 H    4.329900      -2.902200      -2.033800    
 H    5.075200      6.6999998E-03   1.666000    
 H    6.180600      0.8073000      0.5185000    
 H    6.094000       2.021400       2.699400    
 H    5.441400       3.030400       1.386500    
 H    4.337900       2.237100       2.503400    


%chk=000055227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055227

0 1
O -2.467611 -0.829061 0.772270
O 3.854719 0.445653 0.954895
N 1.342738 0.630113 0.231286
N -0.719377 0.594662 -0.906264
C -3.311561 -1.832394 1.477747
C -3.049608 0.003025 -0.205684
C -2.119138 0.748359 -1.008817
C 2.195630 0.001448 -0.704179
C -2.352182 -2.964632 1.861712
C -3.993536 -1.187723 2.699025
C 3.571547 -0.103800 -0.317505
C -0.024857 0.886115 0.169583
C -4.441559 0.110963 -0.437604
C -2.643571 1.570148 -2.041685
C 1.798240 -0.517252 -1.959998
C 4.519315 -0.710377 -1.162374
C -4.933593 0.953722 -1.461608
C -4.032545 1.686255 -2.264870
C -0.590361 1.531804 1.428762
C 2.754175 -1.127085 -2.806186
C 4.105854 -1.225277 -2.416477
C 5.245387 0.389222 1.439084
C 5.269727 1.047156 2.816243
H -4.070450 -2.213862 0.764015
H -2.896428 -3.765473 2.394998
H -1.879295 -3.392965 0.962142
H -1.553686 -2.582817 2.522466
H -4.637981 -1.925150 3.212553
H -4.616788 -0.323533 2.412093
H -3.229472 -0.838564 3.416572
H 1.828146 0.927707 1.081538
H -5.153640 -0.451172 0.174233
H -1.925760 2.107428 -2.670543
H 0.748022 -0.426473 -2.241981
H 5.568498 -0.787580 -0.862454
H -6.014117 1.028859 -1.625865
H -4.404263 2.336588 -3.064013
H 2.432251 -1.524308 -3.774849
H -1.363508 2.269969 1.156478
H -1.076485 0.757823 2.048377
H 0.188201 2.040125 2.024581
H 4.842575 -1.696887 -3.075604
H 5.569977 -0.670054 1.492645
H 5.901694 0.925113 0.723397
H 6.295942 1.027599 3.225820
H 4.940365 2.098582 2.754136
H 4.605668 0.512199 3.516809


