%chk=000126323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126323

0 1
 O   -2.288500      1.5699999E-02   1.141800    
 O   -1.953500       1.700200      -2.006200    
 O   -3.924400       2.154700     -0.1767000    
 O   -3.891100      -2.233600       1.631700    
 O    3.522000       2.163600       1.436000    
 N  -0.2821000     -0.1915000     -3.9799999E-02
 N    1.613900       1.143700      0.6987000    
 N   0.9354000      -1.962600     -0.7882000    
 N    3.732500      0.2083000      0.1560000    
 N    3.803800      -2.103700     -0.6394000    
 C   -1.467900      0.6015000      0.1179000    
 C   -2.312500      0.6400000      -1.144000    
 C   -3.709000      0.8033000     -0.5825000    
 C   -3.652000     -5.9599999E-02  0.6706000    
 C    1.005400      0.3850000     -0.3524000    
 C    1.782400     -0.8854000     -0.5630000    
 C   -3.983600      -1.522800      0.4096000    
 C  -0.2309000      -1.500000     -0.4348000    
 C    3.115200     -0.9438000     -0.3731000    
 C    3.001200       1.246800      0.7951000    
 C    5.183700      0.3404000      4.2800002E-02
 H   -1.201000       1.611800      0.4494000    
 H   -2.258500     -0.2951000      -1.712600    
 H   -4.502700      0.5362000      -1.285000    
 H   -4.286100      0.3298000       1.475300    
 H   0.9744000      0.9831000      -1.270200    
 H   -3.302500      -1.986900     -0.3056000    
 H   -5.006300      -1.619500      3.0999999E-02
 H   -1.163600      -2.075400     -0.4478000    
 H    1.050400       1.831900       1.187600    
 H   -1.034300       1.551900      -2.285100    
 H   -3.298100       2.377000      0.5321000    
 H   -4.119800      -3.159700       1.442900    
 H    5.494900      0.1230000     -0.9838000    
 H    5.658800     -0.3583000      0.7382000    
 H    5.507500       1.354500      0.2933000    
 H    4.793800      -2.160700     -0.4419000    
 H    3.309300      -2.913200     -0.9937000    


%chk=000126323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126323

0 1
O -1.751792 0.002137 0.700380
O -2.876437 0.864188 -2.716965
O -4.222899 1.827146 -0.652526
O -3.323382 -0.752382 3.081600
O 2.773063 -0.005514 2.759781
N -0.156001 0.027228 -1.081260
N 1.274608 0.127137 0.963494
N 1.470858 -1.032153 -2.328962
N 3.613407 -0.104233 0.560361
N 4.362659 -1.214203 -1.444723
C -1.419357 0.544665 -0.659878
C -2.648547 0.111735 -1.486660
C -3.821296 0.428932 -0.518650
C -3.216006 0.242274 0.901158
C 1.102239 0.493878 -0.460880
C 2.107233 -0.295796 -1.289791
C -3.793812 -0.918159 1.702281
C 0.171927 -0.838399 -2.161578
C 3.355691 -0.540834 -0.762195
C 2.539963 0.008307 1.514154
C 4.989772 -0.048154 1.088021
H -1.384918 1.655370 -0.583650
H -2.599725 -0.979591 -1.673284
H -4.684517 -0.239089 -0.711067
H -3.362691 1.185030 1.460921
H 1.174570 1.603854 -0.555109
H -3.454649 -1.880548 1.264150
H -4.903790 -0.865235 1.658253
H -0.596474 -1.317492 -2.767850
H 0.464540 0.128780 1.592123
H -2.088622 0.807733 -3.312391
H -4.194459 2.047318 -1.623124
H -3.472565 -1.586782 3.591389
H 5.644945 0.454355 0.357375
H 5.394697 -1.053717 1.319427
H 4.967593 0.514888 2.032509
H 5.047371 -1.770639 -0.936599
H 4.133000 -1.501436 -2.396036


