%chk=000177145.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177145

1 1
 S    2.208700     -0.3515000     -6.9899999E-02
 O    2.463700      0.2857000       1.410000    
 O    3.052800      -1.526300     -0.1866000    
 O    2.268600      0.7181000      -1.047700    
 N   0.7251000       2.004900     -3.3000000E-02
 N    1.674200       2.540300     -5.0500002E-02
 C  -0.5956000     -7.3600002E-02 -1.3500000E-02
 C   0.5373000     -0.9032000     -3.8100000E-02
 C   -1.883100     -0.6607000      9.1000004E-03
 C  -0.4788000       1.326000     -1.1100000E-02
 C   0.4027000      -2.291700     -4.0199999E-02
 C   -1.999800      -2.060400      6.6000000E-03
 C   -3.015900      0.1689000      3.3700000E-02
 C  -0.8633000      -2.869200     -1.7899999E-02
 C   -1.615200       2.135100      1.3400000E-02
 C   -2.881300       1.557600      3.5700001E-02
 H    1.248600      -2.971500     -5.4200001E-02
 H   -2.979400      -2.533400      2.4200000E-02
 H   -4.015400     -0.2606000      5.1300000E-02
 H  -0.9683000      -3.950300     -1.8400000E-02
 H   -1.525100       3.218500      1.5200000E-02
 H   -3.765700       2.187900      5.4699998E-02
 H    2.371100     -0.3432000       2.163900    


%chk=000177145-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177145

1 1
S 2.324025 -0.526742 -0.153897
O 2.451022 0.255859 1.528882
O 3.242533 -1.845106 -0.236873
O 2.419528 0.662409 -1.246586
N 0.621287 2.100362 0.261616
N 1.545019 2.765503 0.468763
C -0.574595 -0.080512 0.018456
C 0.499433 -1.018779 0.014360
C -1.914200 -0.658730 -0.024068
C -0.538451 1.375191 0.072418
C 0.318460 -2.403005 0.030883
C -2.089414 -2.082330 -0.014568
C -3.070478 0.183148 -0.081291
C -0.996819 -2.946039 0.029799
C -1.705476 2.185760 0.003604
C -2.974618 1.581805 -0.088097
H 1.194701 -3.062309 0.021530
H -3.108250 -2.481886 -0.046295
H -4.056531 -0.292466 -0.121254
H -1.135773 -4.029887 0.045294
H -1.609627 3.275732 0.037274
H -3.868864 2.206861 -0.144728
H 3.392989 0.182563 1.861479


