%chk=000043519.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043519

0 1
 O    1.723100     -0.9444000      0.7332000    
 N    4.863900      0.5664000     -0.4608000    
 C   -4.653300       1.392100      0.1277000    
 C   -3.317700       2.060300      0.4488000    
 C   -4.658200     -0.1296000      0.2620000    
 C   -2.197400       1.705800     -0.5286000    
 C   -3.757800     -0.8428000     -0.7462000    
 C   -1.569100      0.3631000     -0.2478000    
 C   -2.301900     -0.8339000     -0.3500000    
 C  -0.2126000      0.3076000      0.1167000    
 C   -1.659500      -2.055800     -8.5199997E-02
 C   0.4097000     -0.9121000      0.3793000    
 C  -0.3139000      -2.094300      0.2782000    
 C    2.560800      8.9000002E-02  0.2170000    
 C    3.975200     -0.4512000      8.0300003E-02
 C    6.217900      3.3900000E-02 -0.6322000    
 C    4.891000       1.745900      0.4075000    
 H   -4.971200       1.673100     -0.8841000    
 H   -5.410400       1.797300      0.8108000    
 H   -3.020900       1.831200       1.479800    
 H   -3.476400       3.145200      0.4024000    
 H   -5.688500     -0.4684000      9.4200000E-02
 H   -4.397200     -0.4174000       1.287900    
 H   -1.430000       2.487300     -0.4582000    
 H   -2.553500       1.734400      -1.565700    
 H   -3.868200     -0.4133000      -1.749400    
 H   -4.102400      -1.881700     -0.8291000    
 H   0.3267000       1.246000      0.2179000    
 H   -2.207000      -2.992600     -0.1595000    
 H   0.1620000      -3.050000      0.4796000    
 H    2.223000      0.4248000     -0.7728000    
 H    2.507100      0.9184000      0.9287000    
 H    4.323100     -0.8247000       1.053100    
 H    3.948400      -1.324300     -0.5848000    
 H    6.870700      0.7820000      -1.095800    
 H    6.664600     -0.2732000      0.3205000    
 H    6.208300     -0.8315000      -1.304300    
 H    5.671600       2.442900      7.8599997E-02
 H    3.960700       2.318900      0.3471000    
 H    5.093800       1.491100       1.454200    


%chk=000043519-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043519

0 1
O 1.782784 -1.147180 0.048782
N 5.000820 0.739641 -0.122809
C -4.673195 1.505801 0.260815
C -3.271713 2.157850 0.199517
C -4.693319 0.000297 0.616753
C -2.338741 1.579467 -0.904078
C -3.971576 -0.914105 -0.414738
C -1.677951 0.254666 -0.543130
C -2.451626 -0.918935 -0.311482
C -0.265373 0.200845 -0.428636
C -1.772110 -2.117185 0.029705
C 0.389577 -1.006637 -0.085046
C -0.370398 -2.176377 0.145951
C 2.616408 0.044810 -0.174916
C 4.070855 -0.405628 0.019614
C 6.340368 0.339251 -0.599322
C 5.080151 1.577174 1.092163
H -5.170787 1.643432 -0.723023
H -5.289748 2.055808 1.000359
H -2.770460 2.067506 1.183692
H -3.404804 3.241859 0.008662
H -5.751913 -0.321750 0.688560
H -4.244444 -0.157342 1.617663
H -1.550124 2.322112 -1.129089
H -2.935389 1.465032 -1.834057
H -4.288573 -0.600971 -1.432720
H -4.334353 -1.951360 -0.284191
H 0.310190 1.113702 -0.614265
H -2.357974 -3.027373 0.207884
H 0.147259 -3.103891 0.408687
H 2.474963 0.433132 -1.202557
H 2.334947 0.838426 0.547305
H 4.166044 -0.919126 1.007396
H 4.305838 -1.154423 -0.757736
H 6.953212 1.241887 -0.775258
H 6.894290 -0.314806 0.121224
H 6.250935 -0.203288 -1.556881
H 5.692279 2.473099 0.884834
H 4.074630 1.919860 1.391130
H 5.533521 1.040220 1.964238


