%chk=000023481.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023481

0 1
 O    2.085000      -2.632000     -0.2706000    
 O    2.672200       2.097200      0.2064000    
 O    3.732000     -0.4066000     -0.3250000    
 N   -2.486700       1.793200     -0.7894000    
 C   -2.643000      0.3903000     -0.3839000    
 C   -1.758300      0.1559000      0.8580000    
 C   -4.128800      8.7300003E-02 -9.9299997E-02
 C  -0.2891000      5.7000001E-03  0.5418000    
 C   0.5188000       1.131000      0.5197000    
 C   0.2226000      -1.254700      0.2799000    
 C    1.579400      -1.393800     -1.1800000E-02
 C    1.875700      0.9921000      0.2278000    
 C   -4.374900      -1.344800      0.2869000    
 C    2.406100     -0.2705000     -3.8100000E-02
 C   -3.269600       2.068500      -1.981200    
 C   -4.923600      -1.723400       1.446600    
 C    2.074500      -3.065300      -1.629400    
 C    2.050700       3.349300      0.4893000    
 C    4.657000      2.0800000E-02  0.6723000    
 H   -2.298200     -0.2660000      -1.195500    
 H   -2.067700     -0.7519000       1.390400    
 H   -1.900900      0.9611000       1.592900    
 H   -4.505100      0.7644000      0.6790000    
 H   -4.745600      0.2538000     -0.9894000    
 H   -1.506300       1.973200      -1.001200    
 H   5.3500000E-02   2.083600      0.7458000    
 H  -0.4197000      -2.131300      0.2974000    
 H   -4.095000      -2.110200     -0.4324000    
 H   -3.128900       1.314400      -2.763000    
 H   -2.944900       3.027700      -2.400100    
 H   -4.334600       2.186400      -1.761400    
 H   -5.079000      -2.774500       1.663300    
 H   -5.223800     -0.9989000       2.195400    
 H    2.515400      -4.064900      -1.673700    
 H    1.048300      -3.118200      -2.006900    
 H    2.670400      -2.392000      -2.253600    
 H    2.829400       4.116600      0.4250000    
 H    1.292900       3.603000     -0.2599000    
 H    1.656500       3.382700       1.510800    
 H    5.532300     -0.6335000      0.6220000    
 H    4.986500       1.042700      0.4646000    
 H    4.237700     -4.7300000E-02   1.682200    


%chk=000023481-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023481

0 1
O 1.908604 -2.566786 -0.702138
O 2.734126 2.101550 0.443820
O 3.697301 -0.337131 -0.504421
N -2.522043 1.405892 -1.124172
C -2.828561 0.191077 -0.335433
C -1.898553 0.151997 0.911110
C -4.324254 0.177648 0.095070
C -0.422530 0.033403 0.557457
C 0.444076 1.148499 0.692860
C 0.098493 -1.180740 0.057324
C 1.463960 -1.296458 -0.289911
C 1.811576 1.043662 0.343612
C -4.757704 -1.136888 0.707205
C 2.344823 -0.190032 -0.134801
C -3.064024 1.440364 -2.496236
C -5.346002 -1.286940 1.921170
C 2.614206 -2.643134 -1.999808
C 2.226461 3.398605 0.898237
C 4.685303 -0.145521 0.580593
H -2.638312 -0.738926 -0.935216
H -2.211086 -0.703149 1.538325
H -2.081863 1.075427 1.493196
H -4.502910 1.016776 0.793260
H -4.944472 0.371124 -0.804194
H -1.507534 1.580526 -1.119306
H 0.039842 2.089130 1.079978
H -0.535807 -2.065614 -0.058370
H -4.578878 -2.033341 0.090642
H -2.835664 0.523970 -3.094777
H -2.647012 2.312131 -3.030775
H -4.162289 1.563243 -2.481237
H -5.648214 -2.271006 2.297432
H -5.544489 -0.425953 2.571871
H 2.886172 -3.703700 -2.114444
H 1.934070 -2.340066 -2.819931
H 3.513392 -2.005858 -1.997354
H 3.096531 4.071127 0.873431
H 1.439728 3.780682 0.219621
H 1.828917 3.338669 1.930024
H 5.663425 -0.347247 0.117419
H 4.645299 0.889228 0.960295
H 4.499099 -0.865141 1.400275


