%chk=000160047.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160047

0 1
 O    3.046800       2.445000     -0.7774000    
 O   0.2177000      -3.107000      0.9088000    
 O   -7.017200      -1.608800      -1.368100    
 N  -0.1088000     -0.8007000      0.6720000    
 N   -3.815900      -1.153100      0.3891000    
 C   0.4485000      0.4209000      0.3215000    
 C    1.727400      0.5278000     -8.7300003E-02
 C  -0.1732000       1.752700      0.3170000    
 C    2.599400     -0.6318000     -0.1847000    
 C   -1.497300     -0.8554000       1.107000    
 C   0.7812000       2.674500     -0.1125000    
 C    2.066100      -1.882300      0.1625000    
 C    2.012200       1.949200     -0.3846000    
 C   0.6486000      -1.993100      0.6138000    
 C   -2.435600      -1.072900     -7.1000002E-02
 C   -1.435900       2.232200      0.6354000    
 C    3.933400     -0.5584000     -0.6041000    
 C   0.5536000       4.034300     -0.2426000    
 C    2.857500      -3.036900      8.9500003E-02
 C   -1.703700       3.604900      0.5158000    
 C  -0.7163000       4.499400      7.9899997E-02
 C    4.719800      -1.710500     -0.6760000    
 C    4.183100      -2.947100     -0.3300000    
 C   -4.724900      -1.371900     -0.7275000    
 C   -6.166500      -1.411100     -0.2464000    
 H   -1.594000      -1.736900       1.757700    
 H   -1.743000     -3.6200002E-02   1.781600    
 H   -2.324500     -0.2584000     -0.7965000    
 H   -2.160000      -2.001400     -0.5869000    
 H   -2.264800       1.614100      0.9451000    
 H    4.390400      0.3860000     -0.8827000    
 H    1.326700       4.714400     -0.5812000    
 H    2.460900      -4.013200      0.3544000    
 H   -4.066600     -0.2922000      0.8748000    
 H   -2.695100       3.980000      0.7574000    
 H  -0.9466000       5.557300     -6.8999999E-03
 H    5.753400      -1.640500      -1.002900    
 H    4.797000      -3.841200     -0.3868000    
 H   -4.492500      -2.315500      -1.236700    
 H   -4.617900     -0.5772000      -1.476900    
 H   -6.456800     -0.4780000      0.2479000    
 H   -6.328700      -2.237600      0.4529000    
 H   -6.896100     -0.8516000      -1.966100    


%chk=000160047-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160047

0 1
O 3.348009 2.483592 -0.548408
O -0.012149 -3.050949 0.656672
O -7.256969 -2.198517 -0.980557
N -0.120630 -0.710304 0.565279
N -3.887004 -0.955363 0.202986
C 0.487993 0.499402 0.291640
C 1.852187 0.574490 -0.041961
C -0.110606 1.876588 0.298165
C 2.671488 -0.606230 -0.140855
C -1.545546 -0.833615 0.966146
C 0.949002 2.780281 -0.019131
C 2.036276 -1.870784 0.100154
C 2.218652 1.994585 -0.245938
C 0.606636 -1.963568 0.448657
C -2.489801 -0.910640 -0.258606
C -1.403135 2.391573 0.515015
C 4.060435 -0.578742 -0.469346
C 0.757147 4.160978 -0.104775
C 2.785204 -3.074841 0.007829
C -1.607464 3.798349 0.432960
C -0.546833 4.677802 0.131416
C 4.784243 -1.778456 -0.553479
C 4.150296 -3.031623 -0.315405
C -4.884898 -1.459960 -0.759892
C -6.235658 -1.693746 -0.054352
H -1.645953 -1.770521 1.534337
H -1.802852 0.007662 1.629762
H -2.271204 -0.069659 -0.961078
H -2.273225 -1.849510 -0.798916
H -2.260265 1.752882 0.738749
H 4.537821 0.388223 -0.651966
H 1.599626 4.814819 -0.351802
H 2.267832 -4.020731 0.197114
H -4.185547 -0.076438 0.647457
H -2.611466 4.200906 0.606117
H -0.730534 5.755730 0.074743
H 5.850082 -1.750236 -0.806118
H 4.728388 -3.959063 -0.384292
H -4.526213 -2.424303 -1.163492
H -5.041569 -0.778623 -1.637299
H -6.576958 -0.757438 0.443277
H -6.129448 -2.475505 0.712861
H -7.393591 -1.536696 -1.705368


