%chk=000040821.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040821

0 1
 O    4.662200      -2.362600       1.362500    
 O    3.581400      -1.562700      -2.501700    
 O    4.533500      -3.209700      -1.257900    
 N  -0.1694000      0.1079000      0.2698000    
 C   -1.390900     -0.5055000      0.2608000    
 C   -1.632800      -1.941100      0.5535000    
 C   -2.352200      0.4402000     -3.4400001E-02
 C   -2.926300      -2.395400     -0.1466000    
 C   -3.742300      2.6600000E-02 -9.9500000E-02
 C   -4.038600      -1.358700     -0.1098000    
 C  -0.3363000       1.441200     -1.1900000E-02
 C   -1.683200       1.676700     -0.2017000    
 C    1.052000     -0.5182000      0.5405000    
 C   -4.780100      0.9634000     -0.1393000    
 C   0.7565000       2.389400     -7.9999998E-02
 C   -5.374800      -1.772800     -0.1763000    
 C   -6.106400      0.5321000     -0.1918000    
 C   -6.402900     -0.8303000     -0.2101000    
 C    1.790300      -1.053200     -0.5046000    
 C    1.503900     -0.5920000       1.849500    
 C    1.153100       3.072400       1.066300    
 C    1.403100       2.612500      -1.292300    
 C    3.008500      -1.676500     -0.2343000    
 C    2.722300      -1.215200       2.119800    
 C    3.474500      -1.757500       1.077900    
 C    2.204900       3.986200      0.9996000    
 C    2.455000       3.526100      -1.358900    
 C    2.855800       4.213000     -0.2129000    
 C    3.779000      -2.236300      -1.336300    
 H  -0.8065000      -2.583700      0.2330000    
 H   -1.744500      -2.061600       1.638500    
 H   -3.263100      -3.333500      0.3104000    
 H   -2.712000      -2.605200      -1.202900    
 H   -2.127400       2.634700     -0.4378000    
 H   -4.577700       2.031100     -0.1256000    
 H   -5.622600      -2.830700     -0.2074000    
 H   -6.911300       1.261100     -0.2208000    
 H    1.404400     -0.9921000      -1.519700    
 H   -7.437200      -1.158800     -0.2576000    
 H   0.9267000     -0.1733000       2.669800    
 H   0.6557000       2.906200       2.018800    
 H    1.102600       2.084400      -2.194100    
 H    3.072900      -1.270900       3.146900    
 H    2.517300       4.520800       1.891900    
 H    2.962200       3.702500      -2.302900    
 H    3.675000       4.924100     -0.2648000    
 H    4.817700      -2.321800       2.321700    
 H    4.103100      -1.946700      -3.238400    


%chk=000040821-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040821

0 1
O 4.888398 -2.447402 1.101469
O 2.504323 -3.247173 -2.377771
O 4.526279 -3.699917 -1.336180
N -0.053987 0.157016 0.133566
C -1.281150 -0.515722 0.020898
C -1.542099 -1.995548 0.112606
C -2.307490 0.443182 -0.021965
C -2.855603 -2.303748 -0.658628
C -3.716027 0.030421 -0.067676
C -4.001962 -1.348702 -0.328153
C -0.300383 1.561681 0.160334
C -1.689977 1.738085 0.067108
C 1.208978 -0.488362 0.371290
C -4.789061 0.930979 0.158077
C 0.748618 2.596022 0.184796
C -5.344217 -1.784949 -0.344765
C -6.127133 0.483051 0.128073
C -6.409439 -0.880137 -0.119780
C 1.719165 -1.419751 -0.551394
C 1.942318 -0.203453 1.550493
C 0.503329 3.813493 0.884044
C 1.988697 2.456214 -0.503402
C 2.948998 -2.095070 -0.326225
C 3.168149 -0.845104 1.784961
C 3.681504 -1.795718 0.863498
C 1.458403 4.850901 0.894457
C 2.948135 3.490485 -0.480500
C 2.691062 4.693780 0.217272
C 3.444510 -3.072257 -1.331132
H -0.718988 -2.603574 -0.301689
H -1.652729 -2.292568 1.177686
H -3.162839 -3.348636 -0.469953
H -2.639323 -2.224378 -1.745315
H -2.182531 2.706582 -0.007430
H -4.572255 1.984460 0.369395
H -5.561809 -2.842283 -0.541715
H -6.945258 1.190540 0.304247
H 1.179582 -1.627111 -1.478225
H -7.445659 -1.235805 -0.135604
H 1.549689 0.520903 2.269863
H -0.437992 3.931448 1.432580
H 2.191971 1.548135 -1.079798
H 3.734185 -0.616336 2.696995
H 1.246134 5.777627 1.439646
H 3.892776 3.361642 -1.020944
H 3.436528 5.496484 0.230091
H 5.284266 -2.144844 1.958498
H 2.887015 -3.897983 -3.024802


