%chk=000081257.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081257

0 1
 S    2.662400      -1.045700     -1.0100000E-02
 N    4.822200      0.8139000     -9.2000002E-03
 C   -1.218800      0.4035000      2.9500000E-02
 C   -2.566500     -0.3215000      3.2000002E-02
 C  -5.3599998E-02 -0.5910000      2.5200000E-02
 C   -3.765900      0.6284000      1.2200000E-02
 C    1.286200      0.1389000     -1.3100000E-02
 C   -5.106400     -8.6900003E-02 -5.7000000E-02
 C    3.940300      6.0400002E-02 -9.6000005E-03
 H   -1.149300       1.051700      0.9113000    
 H   -1.154300       1.050100     -0.8540000    
 H   -2.632700     -0.9646000      0.9183000    
 H   -2.620800     -0.9819000     -0.8426000    
 H  -0.1154000      -1.220900      0.9216000    
 H  -0.1459000      -1.251000     -0.8466000    
 H   -3.682400       1.300600     -0.8501000    
 H   -3.744200       1.258500      0.9092000    
 H    1.350900      0.7587000     -0.9143000    
 H    1.378200      0.7963000      0.8587000    
 H   -5.242600     -0.7438000      0.8079000    
 H   -5.178200     -0.6945000     -0.9646000    
 H   -5.925200      0.6392000     -6.6600002E-02


%chk=000081257-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081257

0 1
S 2.725052 -1.080846 0.013650
N 5.054929 0.713737 0.022558
C -1.247837 0.417070 -0.000802
C -2.604488 -0.324426 -0.005797
C -0.041661 -0.555209 0.002661
C -3.816827 0.634564 -0.008785
C 1.288509 0.209177 0.007958
C -5.169242 -0.109991 -0.012275
C 4.089261 0.001560 0.018575
H -1.194772 1.077775 0.888819
H -1.188820 1.078729 -0.889361
H -2.665091 -0.987927 0.881730
H -2.659419 -0.986203 -0.894978
H -0.102250 -1.211534 0.893028
H -0.095952 -1.210159 -0.889079
H -3.756021 1.297128 -0.896105
H -3.760487 1.297103 0.878851
H 1.421781 0.826212 -0.894680
H 1.414541 0.826164 0.911667
H -5.269320 -0.755841 0.880328
H -5.264956 -0.755485 -0.905610
H -6.018929 0.596803 -0.014253


