%chk=000005271.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005271

0 1
 O    2.143900      -3.663200     -0.1842000    
 O   -2.521500      -1.390400       1.021400    
 O  -0.2024000       3.270400       1.007300    
 O    1.281800       4.904200       1.533200    
 N   9.2000002E-03 -0.3958000      0.5634000    
 N   -1.131500      0.1494000     -3.1000001E-03
 N   -3.388000      0.2797000     -0.3819000    
 C    3.226900      -1.799700     -0.9586000    
 C    2.224800      -1.365300      0.1344000    
 C    3.480800      -3.267800     -0.5861000    
 C    1.986200      -2.691100      0.8776000    
 C    4.234200      -3.451100      0.7294000    
 C    3.188400      -3.027200       1.760200    
 C    4.467500     -0.9202000      -1.039300    
 C   0.9342000     -0.8234000     -0.4749000    
 C    4.251600      0.5281000      -1.382100    
 C    4.532200       1.593200     -0.6159000    
 C    4.293100       3.011700      -1.044600    
 C   -2.375700     -0.4184000      0.2834000    
 C    3.330200       3.778800     -0.1279000    
 C    1.939500       3.146200     -1.8300001E-02
 C   -4.779100      2.6699999E-02 -0.3573000    
 C    1.002500       3.890300      0.9083000    
 C   -5.648100      0.8351000      -1.090200    
 C   -5.282500      -1.031600      0.3993000    
 C   -7.020200      0.5855000      -1.066500    
 C   -6.654600      -1.281300      0.4230000    
 C   -7.523400     -0.4727000     -0.3100000    
 H    2.725300      -1.783700      -1.936600    
 H    2.647100     -0.6143000      0.8140000    
 H    3.854800      -3.881300      -1.409200    
 H    1.024900      -2.792200       1.386600    
 H    4.469400      -4.511800      0.8794000    
 H    5.171200      -2.895900      0.8019000    
 H    3.512700      -2.186400       2.380400    
 H    2.960200      -3.872700       2.418700    
 H    5.145600      -1.340900      -1.792900    
 H    5.016800     -0.9582000     -9.1700003E-02
 H   0.4597000      -1.591100      -1.099900    
 H    1.175500      2.4200000E-02  -1.129200    
 H    3.821500      0.7031000      -2.366900    
 H   0.4383000      0.3355000       1.129100    
 H    4.966000       1.440700      0.3689000    
 H   -1.037900      0.9716000     -0.5907000    
 H    5.257500       3.533700      -1.056500    
 H    3.908400       3.046900      -2.071400    
 H    3.232600       4.806700     -0.4992000    
 H    3.770800       3.857500      0.8747000    
 H    1.475100       3.108400      -1.009900    
 H    2.026000       2.126300      0.3704000    
 H   -3.095500       1.066400     -0.9561000    
 H   -5.269000       1.662900      -1.684000    
 H   -4.674400      -1.700700      0.9916000    
 H  -0.8056000       3.739700       1.622300    
 H   -7.696700       1.215000      -1.637100    
 H   -7.048000      -2.105100       1.011600    
 H   -8.591800     -0.6671000     -0.2915000    


%chk=000005271-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005271

0 1
O 2.385674 -3.857890 -0.443881
O -2.535236 -1.639973 0.946324
O -0.739474 3.128044 0.216589
O 0.582321 4.827075 1.081837
N 0.124377 -0.618969 0.789073
N -1.022663 0.102420 0.430471
N -3.257836 0.344048 -0.130374
C 3.440480 -1.789451 -0.848620
C 2.333143 -1.574423 0.250636
C 3.756349 -3.307088 -0.672020
C 2.114450 -3.028242 0.777862
C 4.467987 -3.603733 0.678956
C 3.290089 -3.432114 1.708172
C 4.647878 -0.819160 -0.771467
C 1.053395 -0.940148 -0.315913
C 4.307733 0.574147 -1.261447
C 4.400601 1.721897 -0.538640
C 4.087103 3.109757 -1.065546
C -2.292494 -0.504771 0.459159
C 2.964951 3.840393 -0.278276
C 1.599362 3.142834 -0.431517
C -4.665562 0.167374 -0.178094
C 0.500808 3.812447 0.364058
C -5.428938 1.174330 -0.833423
C -5.331217 -0.951618 0.393528
C -6.832045 1.068877 -0.914696
C -6.737271 -1.038861 0.305331
C -7.499293 -0.039651 -0.343122
H 2.969547 -1.680355 -1.846447
H 2.724891 -0.922314 1.060998
H 4.190943 -3.795653 -1.556375
H 1.098412 -3.239673 1.136934
H 4.854030 -4.636442 0.685086
H 5.315113 -2.923599 0.873702
H 3.498477 -2.667801 2.478142
H 3.067350 -4.383602 2.218577
H 5.466673 -1.229154 -1.401352
H 5.036904 -0.769437 0.263656
H 0.556284 -1.652509 -1.000337
H 1.329429 -0.037909 -0.917062
H 3.966462 0.639118 -2.308529
H 0.573645 -0.254208 1.638785
H 4.742967 1.668268 0.508161
H -0.926675 1.088196 0.140092
H 5.001248 3.735494 -1.008634
H 3.813168 3.048372 -2.137805
H 2.886726 4.886053 -0.629339
H 3.232174 3.893793 0.794270
H 1.285494 3.115174 -1.494133
H 1.669114 2.083292 -0.116200
H -2.905733 1.173384 -0.615448
H -4.920611 2.038974 -1.281904
H -4.741602 -1.729492 0.882032
H -1.425509 3.597283 0.766361
H -7.402780 1.853312 -1.424733
H -7.240819 -1.905745 0.748577
H -8.589496 -0.123070 -0.405235


