%chk=000052249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052249

0 1
 O   -3.309300      0.5465000      0.5716000    
 O   -1.729100       2.786300      0.1028000    
 O    1.035400       2.356900      6.5499999E-02
 O    2.827500       2.755100      -1.323500    
 N   -2.189400      -1.938300     -0.2488000    
 N    4.010600      -3.100700       1.071400    
 C   -3.455600      -1.839000      0.4764000    
 C   -2.427400      -2.302000      -1.645100    
 C   -1.309100      -2.915200      0.3910000    
 C   -4.151400     -0.5238000      0.1641000    
 C   -1.126900      -2.349900      -2.429300    
 C   -1.920200      -4.305800      0.3634000    
 C   -3.905000       1.809000      0.3056000    
 C   -2.972900       2.906300      0.7823000    
 C  -0.8210000       3.806000      0.4953000    
 C   0.4818000       3.626000     -0.2599000    
 C    2.683900      0.7024000     -0.1190000    
 C    2.215300       2.047100     -0.5390000    
 C    3.878600      0.1905000     -0.6254000    
 C    1.929900     -4.8799999E-02  0.7826000    
 C    3.564800      -1.823900      0.6710000    
 C    4.319100      -1.072700     -0.2305000    
 C    2.370200      -1.311900       1.177500    
 H   -3.264800      -1.849200       1.557800    
 H   -4.138500      -2.667500      0.2531000    
 H   -2.991100      -3.232400      -1.776800    
 H   -3.032200      -1.522700      -2.122400    
 H  -0.3099000      -2.924100     -5.7000000E-02
 H   -1.134800      -2.619500       1.433900    
 H   -5.087500     -0.4760000      0.7338000    
 H   -4.403300     -0.4277000     -0.8971000    
 H   -1.346900      -2.387400      -3.502100    
 H  -0.5301000      -3.238000      -2.200600    
 H  -0.5153000      -1.457800      -2.254500    
 H   -1.262500      -4.984300      0.9205000    
 H   -1.997300      -4.726700     -0.6429000    
 H   -2.896400      -4.366600      0.8524000    
 H   -4.867900       1.887100      0.8222000    
 H   -4.063800       1.903900     -0.7749000    
 H   -2.798300       2.800400       1.859300    
 H   -3.417800       3.887100      0.5813000    
 H  -0.6380000       3.723300       1.573000    
 H   -1.246700       4.790800      0.2735000    
 H   0.2915000       3.661400      -1.338900    
 H    1.185200       4.419300      1.6500000E-02
 H    4.480700      0.7599000      -1.328500    
 H   0.9934000      0.3096000       1.200400    
 H    5.251700      -1.460800     -0.6319000    
 H    1.773200      -1.888500       1.879600    
 H    3.462600      -3.647000       1.722500    
 H    4.875400      -3.473500      0.7028000    


%chk=000052249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052249

0 1
O -3.629242 0.647419 0.392172
O -1.794599 3.115040 0.063274
O 1.058170 2.439766 0.190015
O 3.209680 3.319704 -0.060956
N -2.437553 -2.194498 -0.157848
N 4.209573 -3.116782 -0.274999
C -3.816865 -1.763793 0.162486
C -2.344239 -2.877655 -1.469123
C -1.723740 -2.844779 0.965499
C -4.193857 -0.408631 -0.453631
C -0.900021 -3.038119 -1.978360
C -2.233546 -4.252963 1.385924
C -3.928411 1.987903 -0.117060
C -3.116103 2.994778 0.686829
C -0.822301 3.783703 0.927175
C 0.515882 3.817382 0.209966
C 2.866560 0.902153 -0.053665
C 2.447684 2.318436 0.016577
C 4.253158 0.606825 -0.159167
C 1.933748 -0.171824 -0.027697
C 3.769867 -1.798556 -0.202951
C 4.704325 -0.718353 -0.231130
C 2.376514 -1.501003 -0.101915
H -3.918770 -1.659357 1.258535
H -4.574460 -2.521250 -0.160961
H -2.849806 -3.879207 -1.461679
H -2.902466 -2.260021 -2.199241
H -0.650429 -2.911850 0.704649
H -1.784570 -2.158850 1.830958
H -5.304444 -0.306559 -0.493665
H -3.797834 -0.320600 -1.489144
H -0.902966 -3.425793 -3.013623
H -0.319367 -3.748541 -1.361190
H -0.381804 -2.063002 -1.969378
H -1.650923 -4.629001 2.247845
H -2.132991 -4.986040 0.564172
H -3.297497 -4.220269 1.685277
H -5.017956 2.197549 -0.012879
H -3.653660 2.077326 -1.190329
H -3.031052 2.633749 1.734350
H -3.620126 3.987719 0.692985
H -0.723684 3.244476 1.893924
H -1.143383 4.830884 1.137092
H 0.391367 4.162290 -0.832557
H 1.232230 4.483379 0.724730
H 4.961985 1.441539 -0.183302
H 0.864905 0.051623 0.046423
H 5.777324 -0.931296 -0.310732
H 1.648111 -2.320865 -0.084891
H 3.548631 -3.888220 -0.261737
H 5.199352 -3.332765 -0.352045


