%chk=000103465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103465

1 1
 S    3.641200       1.751500      0.1168000    
 S   0.3104000      0.8693000      5.7500001E-02
 O    2.434100       2.673100     -0.4777000    
 O    3.786800       2.081300       1.522200    
 O    4.767000       1.822800     -0.7944000    
 N  -0.1840000      -1.658100     -8.5000001E-02
 N   -6.280800      0.4528000      1.2500000E-02
 N   -7.358200      0.6333000      1.8800000E-02
 C    3.031100      0.1014000      2.3399999E-02
 C    1.660300     -0.2019000      2.2000000E-03
 C    3.943900     -0.9550000     -3.2200001E-02
 C    1.196300      -1.518600     -7.2600000E-02
 C  -0.7461000     -0.4737000     -2.0900000E-02
 C    3.506300      -2.272800     -0.1068000    
 C    2.139900      -2.567300     -0.1278000    
 C   -2.169800     -0.2354000     -1.2100000E-02
 C    5.419200     -0.7065000     -1.2800000E-02
 C   -3.045300      -1.261300      0.3415000    
 C   -2.667600       1.020400     -0.3576000    
 C   -4.421100      -1.030900      0.3497000    
 C   -4.043400       1.250600     -0.3492000    
 C   -4.920000      0.2250000      4.3000001E-03
 H    4.216000      -3.095200     -0.1525000    
 H    1.808600      -3.600300     -0.1870000    
 H    5.962900      -1.628200      0.2300000    
 H    5.777100     -0.3871000     -0.9960000    
 H    5.710500      7.1999999E-03  0.7638000    
 H   -2.680300      -2.247600      0.6176000    
 H   -2.043300       1.852500     -0.6681000    
 H   -5.097800      -1.834700      0.6271000    
 H   -4.425700       2.229900     -0.6250000    
 H    1.662200       2.801200      0.1222000    


%chk=000103465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103465

1 1
S 3.952396 1.774176 -0.149223
S 0.330114 1.115395 -0.079446
O 2.408750 2.775391 0.069515
O 4.923516 2.018646 1.114178
O 4.521905 1.982956 -1.643150
N -0.236992 -1.525647 0.088975
N -6.434233 0.178208 -0.106876
N -7.595369 0.270319 -0.128640
C 3.075915 0.085510 -0.001777
C 1.680420 -0.077533 0.007446
C 3.966068 -1.021372 0.062156
C 1.143191 -1.425599 0.094718
C -0.826920 -0.330648 -0.001132
C 3.394558 -2.333427 0.156792
C 2.015582 -2.543481 0.173395
C -2.266742 -0.167069 -0.028463
C 5.471164 -0.873911 0.041012
C -3.094620 -1.339932 0.038340
C -2.886486 1.122907 -0.121149
C -4.482319 -1.242707 0.013613
C -4.273442 1.254280 -0.148219
C -5.070919 0.064040 -0.080564
H 4.076591 -3.186806 0.211772
H 1.584760 -3.545645 0.240462
H 5.955879 -1.856955 -0.055404
H 5.813040 -0.238820 -0.797575
H 5.835396 -0.394392 0.968898
H -2.604811 -2.314772 0.109304
H -2.272645 2.027732 -0.172289
H -5.114944 -2.133657 0.064286
H -4.747969 2.237232 -0.219329
H 2.649566 3.743280 0.010272


