%chk=000042084.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042084

0 1
 O    2.847000       1.436600       1.730100    
 O    1.219700      -1.896000     -0.4411000    
 O  -0.3263000       2.741500      -1.866000    
 O   -1.731600     -0.6064000       2.063300    
 O   -3.753100      0.6214000      0.7416000    
 O    1.225800      -4.193500     -0.2957000    
 N    4.615100      0.6352000     -0.4598000    
 N    1.680400       1.285300     -0.3484000    
 N    1.244700      -3.132300      -2.335400    
 C    3.495100     -0.1540000      5.6800000E-02
 C    2.353500      0.5348000      0.7392000    
 C    3.533100      0.2947000      -1.367200    
 C    2.420100       1.271600      -1.607000    
 C    1.194600     -0.3192000       1.353400    
 C   0.3150000       1.216600     -0.1933000    
 C  -2.6600000E-02  0.3668000      0.7741000    
 C    1.203800      -1.797700      0.9708000    
 C  -0.6693000       1.960100     -0.9853000    
 C   -1.423400      0.1463000       1.146100    
 C    3.345600      0.7381000       2.859900    
 C   -2.114700       1.720700     -0.6487000    
 C   -2.454200      0.8810000      0.3530000    
 C   -3.078100       2.485300      -1.515500    
 C    1.229700      -3.164400     -0.9629000    
 C   -4.281700     -0.4756000      2.2800000E-02
 C   -5.717000     -0.7098000      0.4685000    
 C   -6.347400      -1.887300     -0.2533000    
 H    3.736200      -1.161700      0.3474000    
 H    3.735500     -0.4050000      -2.162000    
 H    5.417100      2.8999999E-02 -0.6289000    
 H    1.791600      0.9250000      -2.434500    
 H    2.802700       2.270000      -1.841200    
 H    1.126600     -0.2442000       2.441500    
 H   0.3106000      -2.300000       1.361500    
 H    2.084000      -2.293700       1.396100    
 H    4.157000       1.338000       3.284200    
 H    2.575400      0.6653000       3.632900    
 H    3.750800     -0.2524000       2.631600    
 H   -2.887600       3.561400      -1.444500    
 H   -2.977400       2.178400      -2.561700    
 H   -4.118400       2.319000      -1.219100    
 H   -4.264800     -0.2731000      -1.055800    
 H   -3.688500      -1.378800      0.2147000    
 H    1.248900      -2.253500      -2.842400    
 H    1.253700      -3.985300      -2.884200    
 H   -6.309500      0.1959000      0.2917000    
 H   -5.742900     -0.8807000       1.551400    
 H   -5.792600      -2.810400     -5.7500001E-02
 H   -7.377900      -2.032400      8.5800000E-02
 H   -6.366300      -1.720100      -1.334900    


%chk=000042084-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042084

0 1
O 2.389957 1.105107 1.985054
O 1.134510 -2.223188 -0.907276
O -0.108680 2.696602 -2.069572
O -2.034970 -1.351236 1.171750
O -3.877170 0.362548 -0.327064
O 3.220111 -3.342518 -0.901929
N 4.610925 0.757168 0.147622
N 1.628841 1.192016 -0.242928
N 2.010585 -2.936791 -2.870988
C 3.468859 -0.260075 0.143569
C 2.173925 0.263170 0.793816
C 3.745363 0.586683 -1.089107
C 2.645303 1.653283 -1.218256
C 0.979558 -0.731820 1.083111
C 0.275276 1.030194 -0.363979
C -0.196557 0.001933 0.445309
C 1.102563 -2.183196 0.579436
C -0.610191 1.820680 -1.279150
C -1.581576 -0.347230 0.500144
C 3.238946 0.486674 3.008345
C -2.044037 1.525111 -1.202591
C -2.509021 0.531309 -0.340381
C -2.994461 2.328245 -2.060373
C 2.216348 -2.885301 -1.511293
C -4.610412 -0.597223 0.557988
C -6.096991 -0.326246 0.320009
C -6.973509 -1.265127 1.179347
H 3.698791 -1.328398 0.157796
H 4.174777 0.144381 -1.993212
H 5.518242 0.262803 0.029725
H 2.200345 1.707160 -2.223847
H 3.028010 2.651082 -0.943215
H 0.857771 -0.799159 2.181061
H 0.195330 -2.734997 0.876250
H 2.003811 -2.689888 0.968559
H 3.221258 1.185556 3.858812
H 2.845114 -0.497658 3.340816
H 4.276210 0.373365 2.644171
H -3.701723 2.904898 -1.436072
H -2.423741 3.026455 -2.692958
H -3.607162 1.670185 -2.703047
H -4.319427 -1.626495 0.288582
H -4.313580 -0.422490 1.607060
H 1.150102 -2.572311 -3.273626
H 2.703504 -3.398494 -3.453124
H -6.324513 -0.467881 -0.753296
H -6.318127 0.730466 0.560783
H -6.779179 -1.121489 2.258626
H -8.045617 -1.069850 1.001183
H -6.779693 -2.327512 0.940461


