%chk=000025719.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025719

0 1
 S   -4.634600       1.896200      -1.557900    
 S   -4.637800       1.959700       1.454200    
 N  -0.7929000     -7.6000001E-03  2.9200001E-02
 C    4.234100     -0.3092000      3.2600001E-02
 C    5.554800      0.4639000      1.0500000E-02
 C    3.002600      0.6001000      0.1095000    
 C    6.787700     -0.4442000     -5.4000001E-02
 C    1.678500     -0.1696000      5.0999999E-02
 C    8.142500      0.2710000     -5.6100000E-02
 C   0.4536000      0.7478000      6.7699999E-02
 C    9.336600     -0.6855000     -6.4599998E-02
 C   -1.942500      0.8861000      3.5200000E-02
 C   -3.243200      6.2600002E-02 -1.5000000E-02
 C   -4.599200      0.8387000     -2.8800000E-02
 C    10.65830      7.8699999E-02  2.4300000E-02
 C   -5.846400     -6.7400001E-02 -1.5699999E-02
 C    11.85050     -0.8641000     -1.6200000E-02
 C   -5.700500      -1.454500      6.3999998E-03
 C   -7.120900      0.4997000     -2.5599999E-02
 C   -6.828900      -2.274400      1.8400000E-02
 C   -8.249200     -0.3204000     -1.3400000E-02
 C   -8.103100      -1.707400      8.5000005E-03
 H    4.168400     -0.9292000     -0.8701000    
 H    4.227900     -0.9946000      0.8889000    
 H    5.620100       1.091600      0.9075000    
 H    5.564700       1.141500     -0.8519000    
 H    3.035700       1.316800     -0.7204000    
 H    3.042100       1.185400       1.036200    
 H    6.757400      -1.132000      0.8009000    
 H    6.719400      -1.067900     -0.9543000    
 H    1.631500     -0.8616000      0.9014000    
 H    1.658700     -0.7830000     -0.8588000    
 H    8.197600      0.9319000     -0.9298000    
 H    8.201100      0.9141000      0.8309000    
 H   0.5077000       1.419600     -0.7978000    
 H   0.4881000       1.368600      0.9716000    
 H    9.257900      -1.379500      0.7809000    
 H    9.314800      -1.287900     -0.9807000    
 H   -1.913300       1.503100      0.9390000    
 H   -1.886100       1.551900     -0.8319000    
 H   -3.228400     -0.6069000      0.8582000    
 H   -3.191700     -0.5899000     -0.8996000    
 H  -0.8378000     -0.6379000      0.8294000    
 H    10.73440      0.7889000     -0.8073000    
 H    10.69060      0.6608000      0.9526000    
 H    11.86580      -1.437400     -0.9487000    
 H    12.78440     -0.2971000      4.9300000E-02
 H    11.82150      -1.569200      0.8207000    
 H   -4.736600      -1.950200      1.1200000E-02
 H   -7.266900       1.576300     -4.2900000E-02
 H   -4.572000      0.8901000      -2.442800    
 H   -4.571500      0.9917000       2.380300    
 H   -6.716100      -3.354600      3.4499999E-02
 H   -9.241600      0.1207000     -2.1199999E-02
 H   -8.981700      -2.345900      1.7700000E-02


%chk=000025719-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025719

0 1
S -4.710057 2.198106 -1.117835
S -4.639698 1.639509 1.884262
N -0.786191 0.089586 0.148185
C 4.268791 -0.307935 0.013855
C 5.622117 0.437242 -0.021484
C 3.049269 0.640974 0.020399
C 6.843548 -0.509301 -0.019435
C 1.697732 -0.106158 0.065498
C 8.196633 0.237022 -0.046753
C 0.486106 0.845355 0.087996
C 9.419249 -0.708070 -0.042674
C -2.001482 0.932805 0.184011
C -3.249743 0.036238 0.070044
C -4.611349 0.755399 0.170017
C 10.771905 0.040158 -0.065590
C -5.825977 -0.167458 0.033117
C 11.988021 -0.911255 -0.061787
C -5.698552 -1.580722 0.079453
C -7.127960 0.384146 -0.122673
C -6.837154 -2.413324 -0.019947
C -8.263758 -0.445024 -0.213569
C -8.124399 -1.852389 -0.162596
H 4.200626 -0.987198 -0.861483
H 4.232379 -0.957155 0.913903
H 5.686594 1.119693 0.852039
H 5.661019 1.083860 -0.923169
H 3.082663 1.285913 -0.882534
H 3.123028 1.323825 0.892757
H 6.802165 -1.158796 0.880189
H 6.782407 -1.189006 -0.895222
H 1.671746 -0.754694 0.967879
H 1.603768 -0.779180 -0.808996
H 8.238642 0.886225 -0.946543
H 8.256852 0.917178 0.828889
H 0.476725 1.453430 -0.838695
H 0.600291 1.564777 0.939493
H 9.377666 -1.359276 0.855739
H 9.362743 -1.386573 -0.919790
H -2.067615 1.566237 1.103570
H -1.969536 1.628699 -0.673768
H -3.206790 -0.721891 0.878658
H -3.199594 -0.505434 -0.893762
H -0.774138 -0.579527 0.933059
H 10.812100 0.690977 -0.963043
H 10.827411 0.717556 0.811159
H 11.971627 -1.578213 -0.944593
H 12.941918 -0.352371 -0.078161
H 11.986665 -1.551688 0.840611
H -4.715644 -2.045775 0.192799
H -7.237887 1.472568 -0.194955
H -4.859550 1.380648 -2.234342
H -6.014205 1.805358 1.916081
H -6.714025 -3.501666 0.014837
H -9.255816 0.004487 -0.333885
H -9.005185 -2.499493 -0.238014


