%chk=000043380.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043380

0 1
 O    4.139500      -2.314400     -0.6083000    
 O    4.072100       2.386200      0.3044000    
 O    5.459100      0.1163000     -0.4645000    
 O  -0.3315000     -0.4179000       1.972600    
 N   -6.477100     -1.3000000E-02 -0.1978000    
 N  -0.8823000     -1.2400000E-02 -0.2719000    
 C    1.419400     -0.1233000      0.4697000    
 C   -5.067000     -1.2300000E-02 -0.2164000    
 C   -2.298800     -1.2500000E-02 -0.2532000    
 C    2.080600       1.102700      0.5429000    
 C    2.114900      -1.269000      8.3099999E-02
 C    3.471700      -1.188800     -0.2303000    
 C    3.437300       1.183000      0.2294000    
 C   4.4000000E-03 -0.2069000      0.7962000    
 C    4.133000      3.7300002E-02 -0.1572000    
 C   -4.353600     -0.2267000      0.9631000    
 C   -4.385300      0.2018000      -1.414500    
 C   -2.958900     -0.2266000      0.9445000    
 C   -2.990600      0.2018000      -1.432900    
 C   -7.198200     -0.8204000      0.7658000    
 C   -7.223700      0.8048000      -1.133200    
 C    5.793200      0.3842000      -1.824400    
 C    4.752900      -3.081900      0.4254000    
 C    3.289000       3.507900      0.7075000    
 H    1.486500       1.957500      0.8497000    
 H    1.602400      -2.226400      2.3900000E-02
 H  -0.4660000      0.1554000      -1.185800    
 H   -4.854900     -0.3844000       1.914000    
 H   -4.910600      0.3597000      -2.352100    
 H   -2.480200     -0.3963000       1.897100    
 H   -2.468900      0.3669000      -2.371500    
 H   -7.226300     -0.3263000       1.742600    
 H   -8.234600     -0.9822000      0.4484000    
 H   -6.745400      -1.812100      0.8777000    
 H   -7.274800      0.3228000      -2.115100    
 H   -8.252400      0.9601000     -0.7889000    
 H   -6.775300       1.798600      -1.243900    
 H    5.387900       1.351500      -2.137700    
 H    5.416700     -0.4096000      -2.477200    
 H    6.882800      0.4181000      -1.908900    
 H    3.999000      -3.449200       1.128800    
 H    5.502600      -2.485800      0.9552000    
 H    5.250000      -3.940400     -3.4400001E-02
 H    2.912000       3.391100       1.729300    
 H    2.490200       3.721900     -1.0800000E-02
 H    3.952800       4.378800      0.7121000    


%chk=000043380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043380

0 1
O 3.555100 -2.064388 -1.559473
O 4.631161 1.933711 1.030470
O 5.487542 -0.234317 -0.532693
O -0.463672 1.399053 1.437538
N -6.732929 -0.235687 -0.187393
N -1.031071 -0.110549 -0.268254
C 1.333831 0.310128 0.221248
C -5.331882 -0.193103 -0.194517
C -2.455166 -0.101052 -0.203023
C 2.265596 1.234460 0.752928
C 1.802701 -0.803641 -0.513897
C 3.184926 -0.969080 -0.758475
C 3.645340 1.071620 0.522338
C -0.119575 0.577406 0.524448
C 4.124842 -0.017744 -0.271335
C -4.602947 0.598920 0.747701
C -4.569201 -0.940902 -1.147068
C -3.197539 0.648407 0.747660
C -3.165258 -0.890702 -1.144832
C -7.483658 0.539488 0.805624
C -7.445851 -1.052257 -1.174317
C 6.221372 0.864878 -1.201295
C 4.570437 -2.990309 -1.007582
C 4.181125 3.025488 1.902831
H 1.864761 2.054120 1.355501
H 1.145584 -1.594051 -0.891928
H -0.638534 -0.679006 -1.021300
H -5.135949 1.191972 1.496223
H -5.068932 -1.565660 -1.892272
H -2.661717 1.264121 1.472309
H -2.613030 -1.479024 -1.890384
H -7.297673 1.629384 0.708294
H -8.562787 0.367219 0.666227
H -7.223972 0.243428 1.842970
H -7.193820 -2.129579 -1.082428
H -8.531860 -0.946439 -1.023053
H -7.216799 -0.738533 -2.214076
H 6.242772 1.761044 -0.560528
H 5.752272 1.097017 -2.175874
H 7.238090 0.472991 -1.356444
H 4.189797 -3.461493 -0.080638
H 5.515332 -2.460886 -0.804955
H 4.709421 -3.755615 -1.786420
H 3.654792 2.630384 2.791746
H 3.518567 3.726281 1.360277
H 5.102063 3.542096 2.210618


