%chk=000121343.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121343

0 1
 O   -1.474800       2.440000      -1.597800    
 O    2.165300       2.593300     -0.3401000    
 O  -0.7232000      -3.403200     -0.9356000    
 O    3.363600     -0.4414000      0.9962000    
 O   -5.721700      0.1027000     -0.3192000    
 O    3.030400       4.187800       1.077400    
 N  -0.9133000     -0.4657000     -0.4895000    
 N   -3.666500      0.6303000      0.6381000    
 N    3.784800      -3.097600      0.6891000    
 N    3.526700       4.183800      -1.167800    
 C   -2.905400      0.7551000     -0.5846000    
 C   -1.716000       1.736200     -0.3882000    
 C  -0.5823000      0.8169000     -0.1612000    
 C   -2.273900     -0.6007000     -0.9805000    
 C   0.7120000      0.8190000      0.2892000    
 C   0.1192000      -1.309500     -0.2775000    
 C    1.157500     -0.5380000      0.2129000    
 C    1.476000       1.991300      0.7559000    
 C   0.1982000      -2.723400     -0.4942000    
 C    2.435400      -1.111800      0.5584000    
 C    1.526300      -3.351100     -0.1391000    
 C    2.552300      -2.607800      0.3443000    
 C   -5.013500      0.3136000      0.6620000    
 C    1.580600      -4.837900     -0.3726000    
 C   -5.552300      0.2227000       2.064600    
 C    2.914600       3.695500     -3.9999999E-02
 H   -3.586000       1.093200      -1.374800    
 H   -1.875200       2.449500      0.4260000    
 H   -2.744000      -1.469500     -0.5127000    
 H   -2.207800     -0.7196000      -2.066400    
 H   -3.168500      0.7151000       1.520000    
 H   0.7898000       2.729900       1.189800    
 H    2.192100       1.710900       1.535800    
 H  -0.7309000       3.047000      -1.441800    
 H   0.8151000      -5.342300      0.2268000    
 H    2.540800      -5.288500     -0.1121000    
 H    1.396000      -5.061000      -1.429000    
 H    4.492600      -2.465300       1.042500    
 H    4.001600      -4.080200      0.5961000    
 H   -6.645500      0.2162000       2.038900    
 H   -5.196900     -0.7000000       2.531400    
 H   -5.222300       1.081300       2.656400    
 H    3.399600       3.740900      -2.071600    
 H    4.124700       5.002500      -1.132100    


%chk=000121343-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121343

0 1
O -0.848242 2.261080 -1.851998
O 1.572379 2.835730 -0.426642
O -0.759219 -3.666649 -0.569697
O 3.937083 -1.030475 0.756174
O -5.052644 1.884307 -0.618600
O 1.849974 4.302032 1.407753
N -0.574266 -0.698400 -0.390400
N -3.297550 0.843247 0.502815
N 3.961645 -3.705451 0.624718
N 0.390096 4.783090 -0.375382
C -2.442929 0.739996 -0.686410
C -1.139684 1.608979 -0.548091
C -0.087651 0.599325 -0.189974
C -1.956216 -0.728635 -0.923404
C 1.274394 0.528105 0.150038
C 0.426874 -1.614272 -0.171096
C 1.592939 -0.879153 0.172915
C 2.190184 1.706716 0.327660
C 0.345681 -3.084418 -0.260758
C 2.828242 -1.587533 0.450431
C 1.592095 -3.808818 0.021425
C 2.755495 -3.107492 0.351202
C -4.566846 1.418517 0.453890
C 1.581275 -5.318981 -0.058453
C -5.324695 1.442972 1.776923
C 1.308629 4.026885 0.311912
H -3.041000 1.121392 -1.530317
H -1.286445 2.395703 0.214299
H -2.569916 -1.479447 -0.403241
H -1.929227 -0.987988 -1.995656
H -2.950458 0.475643 1.391017
H 2.319849 2.023502 1.379771
H 3.187608 1.511608 -0.098391
H 0.145441 2.322714 -1.906483
H 0.569278 -5.662321 -0.326850
H 1.855255 -5.787226 0.908481
H 2.284129 -5.698210 -0.827575
H 4.745415 -3.088299 0.853967
H 4.083323 -4.713918 0.600695
H -5.567306 2.488676 2.033067
H -6.282222 0.908965 1.651879
H -4.769663 0.989691 2.616492
H -0.127218 4.387678 -1.165180
H 0.151315 5.701331 -0.009526


