%chk=000132708.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132708

0 1
 I    4.942300      -2.160100       2.490800    
 O  -0.5412000      0.2824000       1.785900    
 O    2.431300       3.978900      0.3071000    
 O    1.387900       3.642200      -1.677400    
 O   -6.251500      0.2280000     -0.1468000    
 O    6.898000     -0.6348000      0.3664000    
 O   -5.854400       2.867700     -0.5548000    
 N   -2.357600      0.6231000      0.3811000    
 N   -5.058200       2.143500      0.3425000    
 C   -3.175200     -0.4547000      0.8869000    
 C    1.071400       1.999700      7.4400000E-02
 C   -3.478400      -1.466600     -0.2340000    
 C  -0.4604000       2.087100      0.1670000    
 C    1.530300      0.7486000     -0.6969000    
 C   -4.464900      0.1228000       1.484900    
 C   -1.093700      0.9024000      0.8813000    
 C   -2.307200      -2.368700     -0.5452000    
 C    2.962700      0.3704000     -0.4029000    
 C    1.635500       3.274800     -0.5347000    
 C   -5.357500      0.8081000      0.4636000    
 C   -1.389100      -1.980700      -1.507300    
 C   -2.174100      -3.566800      0.1374000    
 C    3.236100     -0.4982000      0.6412000    
 C    3.976800      0.9008000      -1.183800    
 C  -0.3079000      -2.813800      -1.794700    
 C   -1.092900      -4.399900     -0.1501000    
 C    4.559500     -0.8459000      0.9119000    
 C    5.300300      0.5532000     -0.9130000    
 C    5.591600     -0.3202000      0.1348000    
 C  -0.1597000      -4.023400      -1.116000    
 H   -2.639700     -0.9623000       1.698800    
 H    1.455300       1.934400       1.102500    
 H   -3.793800     -0.9546000      -1.153200    
 H   -4.327200      -2.100300      5.6899998E-02
 H  -0.8784000       2.180100     -0.8434000    
 H  -0.7529000       2.992000      0.7141000    
 H   0.9018000     -0.1170000     -0.4596000    
 H    1.408900      0.8999000      -1.777900    
 H   -5.053400     -0.6779000       1.949700    
 H   -4.222800      0.8333000       2.285900    
 H   -2.733200       1.191900     -0.3722000    
 H   -1.494600      -1.040800      -2.041400    
 H   -2.893900      -3.867400      0.8932000    
 H    2.421800     -0.8990000       1.239900    
 H    3.761200       1.580000      -2.003400    
 H   0.4197000      -2.519500      -2.545500    
 H  -0.9768000      -5.341200      0.3791000    
 H    6.092900      0.9711000      -1.528000    
 H   -4.280300       2.630300      0.7735000    
 H   0.6829000      -4.671300      -1.338800    
 H    2.775800       4.796000     -0.1123000    
 H    7.459600     -0.1703000     -0.2776000    
 H   -5.187200       3.460700     -0.9398000    


%chk=000132708-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132708

0 1
I 4.114019 -2.940145 2.278740
O -0.362084 0.591052 1.722714
O 1.923484 4.305335 0.495213
O 2.770685 3.467295 -1.491502
O -4.771630 1.762666 -0.624567
O 6.484063 -1.923454 0.371415
O -7.407594 1.509135 -0.576951
N -2.239691 0.975880 0.399307
N -6.595170 0.970954 0.477816
C -3.076299 -0.035420 1.067350
C 1.298546 2.041466 -0.078215
C -3.343374 -1.272667 0.154833
C -0.224872 2.340088 -0.001600
C 1.622353 0.859096 -1.034242
C -4.403047 0.612469 1.558015
C -0.936443 1.221338 0.777910
C -2.069702 -1.980672 -0.283706
C 2.924309 0.149030 -0.689995
C 2.073124 3.291250 -0.466966
C -5.242869 1.148351 0.407740
C -1.634243 -1.919248 -1.631144
C -1.282458 -2.702809 0.650319
C 2.940199 -0.805856 0.362159
C 4.130484 0.415178 -1.381146
C -0.439788 -2.559195 -2.037674
C -0.088136 -3.340302 0.251145
C 4.126477 -1.483575 0.701431
C 5.321045 -0.260181 -1.040515
C 5.329806 -1.219433 0.002321
C 0.338640 -3.269882 -1.096169
H -2.500772 -0.361726 1.953086
H 1.598624 1.768245 0.953045
H -3.916644 -0.946544 -0.733627
H -3.991540 -1.968860 0.725345
H -0.657069 2.454259 -1.013879
H -0.383486 3.289858 0.543464
H 0.790656 0.133791 -0.976345
H 1.661177 1.241605 -2.070488
H -4.980662 -0.123568 2.149268
H -4.153325 1.457275 2.228139
H -2.697927 1.519342 -0.343022
H -2.234719 -1.369281 -2.366634
H -1.597390 -2.758008 1.699867
H 2.013498 -1.013020 0.908408
H 4.137064 1.164593 -2.179409
H -0.117188 -2.501129 -3.083452
H 0.516142 -3.882173 0.987198
H 6.250732 -0.044951 -1.583954
H -7.152677 0.526992 1.205241
H 1.270483 -3.756911 -1.403409
H 2.452685 5.100365 0.214199
H 7.255252 -1.644570 -0.182366
H -6.697249 1.914670 -1.174609


