%chk=000049409.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049409

0 1
 O   0.1530000      0.9602000      -1.520600    
 N    4.026600       1.043800     -9.3500003E-02
 C    1.932200      0.6228000      0.7904000    
 C   0.4678000       1.021300      0.8665000    
 C  -0.3311000      0.3754000     -0.2876000    
 C    2.786600       1.219300       1.911500    
 C    2.617800       1.098000     -0.4853000    
 C    4.082900       1.658900       1.234200    
 C   -1.806200      0.8194000     -0.2113000    
 C   7.4000000E-03  -1.121800     -0.3635000    
 C   -2.901700      6.6600002E-02  0.2605000    
 C  -0.5161000      -2.073000      0.5313000    
 C   -2.850800      -1.337500      0.8114000    
 C   -1.571600      -1.713600       1.535800    
 C    4.898000       1.706100      -1.052300    
 C   -2.081100       2.154300     -0.6257000    
 C   0.9703000      -1.581400      -1.294800    
 C   -4.202800      0.6300000      0.2145000    
 C  -9.7199999E-02  -3.418600      0.4681000    
 C   -3.365700       2.698300     -0.6403000    
 C    1.375400      -2.917200      -1.352100    
 C   -4.434800       1.927200     -0.2293000    
 C   0.8409000      -3.838700     -0.4677000    
 H    2.054800     -0.4620000      0.8954000    
 H   6.5899998E-02  0.7350000       1.844100    
 H   0.3947000       2.116200      0.8145000    
 H    2.979200      0.4669000       2.684900    
 H    2.301400       2.075400       2.393600    
 H    2.494500      0.4793000      -1.364600    
 H    2.324400       2.127500     -0.7318000    
 H    4.105600       2.754600       1.175000    
 H    4.962300       1.326800       1.795100    
 H   -3.661100      -1.447200       1.545400    
 H   -3.070500      -2.040500     -2.9000000E-03
 H   -1.779300      -2.581400       2.175300    
 H   -1.228000     -0.9285000       2.214900    
 H    5.941400       1.645800     -0.7240000    
 H    4.642300       2.762800      -1.191100    
 H    4.841300       1.209200      -2.026900    
 H  -0.4338000      0.6790000      -2.244600    
 H   -1.271500       2.805700     -0.9532000    
 H    1.373500     -0.9406000      -2.070800    
 H   -5.059400      4.4799998E-02  0.5465000    
 H  -0.5139000      -4.155500       1.151300    
 H   -3.521400       3.719100     -0.9756000    
 H    2.097400      -3.233600      -2.099300    
 H   -5.442300       2.330600     -0.2413000    
 H    1.146800      -4.879400     -0.5073000    


%chk=000049409-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049409

0 1
O 0.120746 0.804236 -1.736540
N 4.206312 1.326233 -0.020136
C 2.029176 0.639385 0.599931
C 0.513800 0.926505 0.636180
C -0.375775 0.231887 -0.451484
C 2.748435 1.171610 1.889303
C 2.819653 1.320198 -0.542130
C 4.104842 1.757971 1.397821
C -1.849104 0.731904 -0.281132
C -0.117414 -1.298493 -0.472124
C -2.943476 0.063259 0.350945
C -0.577318 -2.181887 0.549190
C -2.901813 -1.315752 1.005242
C -1.547806 -1.731602 1.624537
C 5.181368 2.073859 -0.822089
C -2.077246 2.046892 -0.790090
C 0.724854 -1.824965 -1.486110
C -4.206882 0.718908 0.398848
C -0.192468 -3.545790 0.513951
C -3.332109 2.679470 -0.728554
C 1.091950 -3.187813 -1.517795
C -4.419743 2.002413 -0.135057
C 0.635202 -4.059246 -0.507275
H 2.201453 -0.449240 0.527032
H 0.117655 0.630076 1.625770
H 0.342606 2.016887 0.545673
H 2.888608 0.358833 2.622838
H 2.142194 1.958209 2.376755
H 2.758237 0.773635 -1.496628
H 2.423085 2.354891 -0.717946
H 4.090482 2.875810 1.484549
H 4.973552 1.391576 1.975703
H -3.676320 -1.333668 1.795545
H -3.196758 -2.089916 0.267436
H -1.719849 -2.568900 2.325522
H -1.148906 -0.893737 2.226530
H 6.191877 1.962708 -0.387477
H 4.954494 3.170649 -0.885486
H 5.208899 1.671620 -1.850880
H -0.517866 0.541638 -2.450005
H -1.234788 2.569147 -1.253051
H 1.114531 -1.143095 -2.246251
H -5.041903 0.194666 0.880841
H -0.557062 -4.214425 1.303631
H -3.457242 3.688643 -1.136443
H 1.742056 -3.557427 -2.318654
H -5.409096 2.469592 -0.077068
H 0.918977 -5.117551 -0.510567


