%chk=000002454.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002454

0 1
 O   -5.385400      0.3425000       1.435300    
 O   -4.713600     -0.8583000     -0.9907000    
 O    3.584100      -2.820800       1.002500    
 O    5.827400      -1.092600      5.1800001E-02
 O    3.899300      -2.884200      -1.277800    
 N   0.7003000      -1.703700     -0.5065000    
 N   -2.570100     -1.1900000E-02 -0.7209000    
 N    3.849500      0.1250000     -6.8099998E-02
 C   -6.586900      0.1836000       2.187100    
 C   -5.470700       1.048800      0.2737000    
 C   -5.135800      0.4553000     -0.9434000    
 C   -6.411800      0.8288000       3.553500    
 C   -6.916300      -1.297200       2.297600    
 C   -5.896800       2.376700      0.3082000    
 C   -5.227100       1.189600      -2.125900    
 C   -5.988300       3.110800     -0.8743000    
 C   -5.653400       2.517300      -2.091300    
 C   -3.368500      -1.092100     -0.8733000    
 C  -0.6846000      -1.522600     -0.6341000    
 C   -2.907200      -2.398000     -0.9150000    
 C   -1.538300      -2.608800     -0.7924000    
 C   -1.245400     -0.2559000     -0.6050000    
 C    2.991600     -0.9267000     -0.2241000    
 C    5.994700       1.238800      0.1984000    
 C    1.666800     -0.7601000     -0.3471000    
 C    5.222400     -2.3300000E-02  6.0899999E-02
 C    7.216800       1.238800      0.8711000    
 C    5.498000       2.423500     -0.3454000    
 C    7.942100       2.423400       1.000000    
 C    6.223400       3.608000     -0.2165000    
 C    3.542600      -2.309200     -0.2589000    
 C    7.445400       3.607800      0.4561000    
 C    4.096000      -4.153100       1.114500    
 H   -7.436600      0.6675000       1.686300    
 H   -6.181600       1.894400       3.456800    
 H   -7.315300      0.7230000       4.161800    
 H   -5.572700      0.3756000       4.093000    
 H   -7.043500      -1.735600       1.301800    
 H   -7.833900      -1.461000       2.870900    
 H   -6.098600      -1.844400       2.779400    
 H   -6.151700       2.859800       1.246800    
 H   -4.969200      0.7337000      -3.078000    
 H   -6.317900       4.145400     -0.8473000    
 H   -5.724200       3.089000      -3.011900    
 H   -3.586600      -3.234200      -1.038500    
 H   -1.149500      -3.623200     -0.8213000    
 H    1.016800      -2.667100     -0.5383000    
 H  -0.6705000      0.6542000     -0.4858000    
 H    1.299600      0.2592000     -0.3177000    
 H    3.426100       1.046700     -1.5799999E-02
 H    7.618200      0.3270000       1.305400    
 H    4.568800       2.463100     -0.9059000    
 H    8.893200       2.423700       1.524300    
 H    5.841000       4.529200     -0.6464000    
 H    8.010900       4.529800      0.5550000    
 H    3.466600      -4.848500      0.5511000    
 H    5.130300      -4.192200      0.7596000    
 H    4.076000      -4.437200       2.169900    


%chk=000002454-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002454

0 1
O -5.197870 0.274094 0.653678
O -4.953977 -1.167676 -1.676623
O 4.374136 -3.031455 0.926169
O 2.500527 1.439296 0.113918
O 2.243556 -3.891274 0.455752
N 0.344423 -2.083702 -0.165037
N -2.787405 -0.302081 -1.197665
N 3.673027 -0.529672 0.581010
C -5.157890 1.044186 1.930905
C -5.654844 0.895619 -0.509560
C -5.496803 0.148697 -1.711531
C -3.998692 2.055364 1.906504
C -5.002599 -0.021201 3.020247
C -6.287074 2.161273 -0.579543
C -5.984911 0.628986 -2.935669
C -6.770871 2.648690 -1.815939
C -6.629524 1.887010 -2.995504
C -3.626160 -1.355135 -1.269813
C -0.992582 -1.822681 -0.542153
C -3.233401 -2.691079 -1.004055
C -1.899849 -2.918505 -0.636803
C -1.493827 -0.527250 -0.838239
C 2.642548 -1.492218 0.381114
C 4.831035 1.620676 0.788596
C 1.334701 -1.153559 0.015098
C 3.576764 0.848209 0.472514
C 4.891943 2.964564 0.337534
C 5.923385 1.090174 1.526775
C 6.028869 3.756732 0.597042
C 7.060229 1.885269 1.788709
C 3.017923 -2.885421 0.576868
C 7.119582 3.218491 1.320187
C 4.838189 -4.421009 1.130641
H -6.130553 1.564691 2.056292
H -4.092584 2.769273 1.070647
H -3.974017 2.628419 2.851806
H -3.038463 1.522934 1.792643
H -5.842000 -0.736320 2.988017
H -4.978267 0.453893 4.017491
H -4.062514 -0.581160 2.873381
H -6.417564 2.767366 0.321795
H -5.848486 0.011640 -3.828920
H -7.260865 3.627996 -1.848942
H -7.006714 2.264172 -3.951219
H -3.961945 -3.500839 -1.082777
H -1.554460 -3.935566 -0.418610
H 0.637376 -3.066250 -0.006324
H -0.854339 0.360472 -0.800927
H 1.109935 -0.094509 -0.127356
H 4.580140 -0.948049 0.801434
H 4.029842 3.361589 -0.208022
H 5.891047 0.073042 1.936998
H 6.065589 4.791311 0.238795
H 7.893436 1.469467 2.365849
H 8.002890 3.833523 1.524936
H 4.274399 -4.893996 1.951873
H 4.697333 -5.008910 0.208454
H 5.904130 -4.329504 1.382759


