%chk=000071140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071140

0 1
 S    4.061400      0.6934000     -0.1107000    
 N   -3.100000       1.300700     -1.7400000E-02
 N  -0.9310000      -2.247000      3.4800000E-02
 C   -1.004300      7.9999998E-04  0.1327000    
 C   -1.756100      -1.161500      0.1525000    
 C   0.3264000     -0.4418000      3.8199998E-02
 C   -1.639000       1.348600      0.2386000    
 C   -3.235900      -1.222200      0.2521000    
 C   -3.761300      0.1686000      0.6662000    
 C   0.3780000      -1.822200     -3.8199998E-02
 C    1.556100      0.2930000      1.7899999E-02
 C    2.738400     -0.4147000     -0.1028000    
 C    1.567400      -2.537900     -0.1580000    
 C    1.693400       1.690600      0.1237000    
 C   -3.411400       1.341800      -1.445900    
 C    2.768000      -1.816200     -0.1966000    
 C    3.024100       2.046900      6.4099997E-02
 C   0.7258000       2.779300      0.3488000    
 H   -1.538000       1.731600       1.255200    
 H   -1.266000       2.018000     -0.5210000    
 H   -3.655700      -1.510600     -0.7186000    
 H   -3.547600      -1.970600      0.9889000    
 H   -4.846300      0.2131000      0.5109000    
 H   -3.616400      0.2972000       1.747700    
 H   -1.231600      -3.211900      1.0200000E-02
 H    1.572100      -3.621400     -0.2189000    
 H   -4.496100       1.334600      -1.601800    
 H   -2.980600      0.5050000      -2.005600    
 H   -3.044700       2.273400      -1.891600    
 H    3.711800      -2.347100     -0.2900000    
 H    3.457800       3.036000      0.1244000    
 H   0.1283000       2.634300       1.242800    
 H    1.271100       3.702500      0.6041000    
 H   0.2102000       3.071400     -0.5652000    


%chk=000071140-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071140

0 1
S 4.303825 0.555440 -0.096894
N -3.287492 1.227619 -0.046085
N -0.932836 -2.229586 0.020092
C -1.079420 0.043104 0.160946
C -1.811363 -1.152330 0.147988
C 0.335606 -0.309936 0.060449
C -1.839980 1.364402 0.272718
C -3.305646 -1.295304 0.240620
C -3.899855 0.085818 0.668645
C 0.379495 -1.752846 -0.039080
C 1.606357 0.383459 0.045445
C 2.780771 -0.428710 -0.098477
C 1.559072 -2.521097 -0.175397
C 1.950846 1.804378 0.173342
C -3.580889 1.249955 -1.495453
C 2.784312 -1.840675 -0.211729
C 3.312450 2.035261 0.115848
C 0.993339 2.960182 0.360361
H -1.756135 1.774703 1.300365
H -1.424582 2.123458 -0.409725
H -3.733392 -1.605244 -0.735700
H -3.593911 -2.072431 0.977325
H -4.991889 0.098382 0.497768
H -3.725449 0.233693 1.751484
H -1.203213 -3.209917 -0.017746
H 1.520097 -3.613171 -0.250559
H -4.674198 1.183775 -1.644043
H -3.098763 0.429634 -2.079318
H -3.239586 2.210758 -1.921058
H 3.725494 -2.388607 -0.318094
H 3.819982 2.996198 0.190335
H 0.305419 2.789098 1.206545
H 1.548601 3.891826 0.564181
H 0.381233 3.134408 -0.543598


