%chk=000057188.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057188

0 1
 O   -2.077200      -1.464100      0.2920000    
 O    2.281900       1.518600     -3.1399999E-02
 O   0.9009000      5.9900001E-02   3.045100    
 N   0.1469000      0.1741000      0.7938000    
 N    3.431100     -0.3259000     -0.8413000    
 C    1.196600     -0.6059000      0.1837000    
 C  -0.9485000      0.6224000     -6.4099997E-02
 C   -1.998600     -0.2227000     -0.2658000    
 C    2.339300      0.3021000     -0.2313000    
 C  -0.8388000       1.869300     -0.6065000    
 C   9.4899997E-02  0.4397000       2.191900    
 C   -3.036300      0.2189000      -1.086700    
 C   -1.876500       2.310900      -1.427400    
 C   -2.975200       1.485700      -1.667500    
 C   -1.051700       1.315100       2.643500    
 C    4.605800      0.4138000      -1.296800    
 C    3.477900      -1.765100      -1.067800    
 C   -2.164000      -2.571100     -0.6023000    
 C   -1.508500      -3.775600      3.9000001E-02
 H   0.8003000      -1.137800     -0.6873000    
 H    1.564100      -1.321200      0.9269000    
 H   1.9000000E-03   2.525300     -0.4147000    
 H   -3.902900     -0.4086000      -1.276200    
 H   -1.831200       3.299000      -1.876300    
 H   -3.784400       1.830700      -2.304400    
 H   -2.014000      0.8464000       2.424700    
 H  -0.9884000       2.304300       2.184200    
 H  -0.9926000       1.450000       3.728700    
 H    4.496000       1.483200      -1.100300    
 H    5.486400      4.0500000E-02 -0.7663000    
 H    4.726700      0.2574000      -2.372500    
 H    3.549200      -1.939800      -2.145900    
 H    4.376700      -2.161000     -0.5843000    
 H    2.620100      -2.317700     -0.6885000    
 H   -3.219600      -2.784200     -0.8025000    
 H   -1.661100      -2.351400      -1.552400    
 H   -1.568500      -4.648900     -0.6164000    
 H  -0.4554000      -3.569900      0.2581000    
 H   -1.990600      -4.015300      0.9924000    


%chk=000057188-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057188

0 1
O -2.006303 -1.557494 0.113924
O 2.365121 1.818199 -1.203476
O 1.685366 -0.961682 1.693892
N 0.380884 -0.122821 -0.024837
N 3.908075 0.156177 -0.668365
C 1.482155 -0.447958 -0.964951
C -0.841158 0.441276 -0.548019
C -2.065889 -0.293460 -0.492859
C 2.624280 0.597380 -0.927470
C -0.813457 1.699433 -1.190948
C 0.605929 -0.392538 1.326380
C -3.245559 0.263588 -1.045517
C -1.988718 2.246942 -1.752832
C -3.202432 1.530775 -1.669910
C -0.457394 0.036548 2.323188
C 5.021131 1.118732 -0.772150
C 4.239726 -1.201490 -0.181802
C -3.229562 -2.388063 0.107338
C -2.867813 -3.710185 0.778318
H 1.065690 -0.417326 -1.985883
H 1.836754 -1.468473 -0.754149
H 0.152827 2.215790 -1.247343
H -4.191492 -0.284115 -1.005734
H -1.953157 3.223777 -2.245715
H -4.121087 1.949465 -2.096015
H -1.300408 -0.676113 2.301221
H -0.853902 1.040834 2.095983
H -0.007130 0.029982 3.326936
H 4.631774 2.058044 -1.192525
H 5.453415 1.325035 0.225821
H 5.815291 0.714331 -1.427072
H 5.222105 -1.160900 0.318357
H 3.490735 -1.525000 0.560633
H 4.309565 -1.933682 -1.009832
H -4.036094 -1.862964 0.659301
H -3.560325 -2.542468 -0.940094
H -3.748554 -4.377614 0.797838
H -2.055930 -4.216414 0.229339
H -2.531756 -3.544449 1.816127


