%chk=000072136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072136

0 1
 S   -2.222200       2.059200       1.506300    
 F    4.231300       2.921400     -0.1280000    
 F    4.148600      0.7565000     -0.2313000    
 F    3.540700       1.948100      -1.945800    
 N   -1.086600     -0.1149000     -0.4040000    
 N    1.768700      -4.065000      0.6008000    
 C   0.2681000      -2.137400      0.1298000    
 C  -0.5265000      -1.363600     -0.9371000    
 C   0.9335000      -3.419400     -0.4063000    
 C  -0.1724000      0.8940000     -8.0000004E-03
 C  -0.6096000      -2.473500       1.340900    
 C   -2.498600      1.2700000E-02 -0.3880000    
 C  -0.5746000       1.947200      0.8371000    
 C   -3.131400      0.9783000      0.4199000    
 C    1.163700      0.9136000     -0.4648000    
 C   -3.331100     -0.7887000      -1.199600    
 C    2.061200       1.915200     -8.4700003E-02
 C   0.3341000       2.949600       1.220500    
 C    2.850200      -3.172800       1.021100    
 C    2.316800      -5.321000      8.6700000E-02
 C   -4.531800       1.105500      0.4267000    
 C    1.646900       2.932400      0.7615000    
 C   -4.722200     -0.6547000      -1.192900    
 C   -5.323300      0.2911000     -0.3763000    
 C    3.466500       1.885900     -0.5846000    
 H    1.052400      -1.471200      0.4929000    
 H   8.4299996E-02  -1.166100      -1.826500    
 H   -1.269200      -2.080900      -1.289500    
 H    1.521100      -3.175200      -1.301600    
 H   0.1427000      -4.110300     -0.7272000    
 H   -1.027800      -1.571600       1.798700    
 H  -4.6599999E-02  -2.982900       2.129200    
 H   -1.444700      -3.121300       1.052500    
 H    1.540100      0.1558000      -1.146900    
 H   -2.945100      -1.505000      -1.917100    
 H   2.7200000E-02   3.756600       1.883000    
 H    3.569000      -3.715400       1.647600    
 H    2.490100      -2.357800       1.655800    
 H    3.403200      -2.753700      0.1724000    
 H    2.897800      -5.834100      0.8612000    
 H    2.963800      -5.164100     -0.7840000    
 H    1.510000      -6.004300     -0.2010000    
 H   -5.021800       1.843500       1.058600    
 H    2.326300       3.720100       1.073700    
 H   -5.330600      -1.281700      -1.838200    
 H   -6.403400      0.4002000     -0.3683000    


%chk=000072136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072136

0 1
S -2.311206 1.763440 1.835405
F 3.949704 3.167974 -0.544160
F 4.138130 0.997103 0.080906
F 3.357638 1.507589 -1.979298
N -1.174750 -0.226584 -0.201608
N 2.012391 -4.073478 0.552970
C 0.331156 -2.186770 0.366202
C -0.612890 -1.518141 -0.669802
C 1.002313 -3.413825 -0.304377
C -0.285873 0.836578 0.115727
C -0.423857 -2.581570 1.651103
C -2.568233 0.045994 -0.385247
C -0.686223 1.879619 1.002579
C -3.234774 0.984041 0.449521
C 1.019485 0.898173 -0.433768
C -3.323370 -0.582223 -1.412679
C 1.897919 1.947809 -0.082413
C 0.178772 2.947269 1.310706
C 3.239348 -3.268607 0.731952
C 2.320771 -5.444310 0.096348
C -4.599600 1.282679 0.275622
C 1.489038 2.981122 0.787821
C -4.701369 -0.314960 -1.563514
C -5.347970 0.616872 -0.722545
C 3.296082 1.918466 -0.619683
H 1.123714 -1.464313 0.639054
H -0.095192 -1.401150 -1.647898
H -1.463620 -2.200944 -0.834757
H 1.447713 -3.098568 -1.288420
H 0.216636 -4.162231 -0.533356
H -0.838040 -1.694188 2.161960
H 0.260771 -3.107999 2.337490
H -1.263388 -3.266522 1.420021
H 1.352357 0.136162 -1.142688
H -2.833667 -1.269389 -2.108873
H -0.166101 3.741922 1.979407
H 3.934304 -3.805121 1.401664
H 3.006374 -2.298739 1.202844
H 3.773073 -3.065418 -0.231650
H 3.009686 -5.926730 0.812776
H 2.799376 -5.480889 -0.915976
H 1.393551 -6.043490 0.058817
H -5.076909 2.021326 0.928158
H 2.172353 3.794019 1.046303
H -5.262618 -0.824082 -2.354384
H -6.414205 0.832385 -0.843061


