%chk=000096978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096978

0 1
 S    2.030400      -1.768500      5.9000002E-03
 S   -4.435000       2.659900     -4.4000000E-03
 O   -3.564000      -2.400700     -1.0800000E-02
 N   -1.978800       1.433800      5.5999998E-03
 N  -0.6615000      -1.819700      3.0000001E-04
 N   -3.911300     -6.5899998E-02 -5.7999999E-03
 N   0.1801000      0.2397000      8.5000005E-03
 C    4.576400     -0.7153000      1.2000000E-02
 C    5.488100      0.5146000      2.2900000E-02
 C   -1.729400     -0.9684000     -6.0000003E-04
 C   -1.190500      0.2865000      4.6999999E-03
 C    3.106600     -0.3043000      1.1100000E-02
 C    6.962900      0.1145000     -1.2200000E-02
 C   0.4675000      -1.044700      5.7000001E-03
 C   -3.123300      -1.254400     -5.7999999E-03
 C   -3.406600       1.301100     -1.2000001E-03
 C   -1.317800       2.746400      1.1000000E-02
 C    7.870500       1.334100     -3.5599999E-02
 C   -5.364100     -0.2888000     -1.1400000E-02
 H    4.795700      -1.333300      0.8919000    
 H    4.796900      -1.320100     -0.8768000    
 H    5.289800       1.112700      0.9207000    
 H    5.260000       1.147200     -0.8436000    
 H    2.888000      0.3019000     -0.8748000    
 H    2.885900      0.2969000      0.8999000    
 H    7.203400     -0.4977000      0.8647000    
 H    7.162400     -0.4972000     -0.8997000    
 H  -0.6942000      -2.830500     -3.0000000E-03
 H   -1.611200       3.299300     -0.8868000    
 H  -0.2284000       2.654500      2.4000000E-02
 H   -1.631100       3.302900      0.8997000    
 H    7.677800       1.949700     -0.9200000    
 H    7.718400       1.953200      0.8543000    
 H    8.920200       1.025000     -5.9200000E-02
 H   -5.794700      0.1711000     -0.9063000    
 H   -5.801700      0.1708000      0.8803000    
 H   -5.626900      -1.349600     -1.2600000E-02


%chk=000096978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096978

0 1
S 2.079845 -1.945381 0.000751
S -4.352384 2.691856 -0.000392
O -3.782293 -2.407627 0.002025
N -1.971957 1.372256 0.001681
N -0.715085 -1.951722 0.001427
N -3.933387 -0.023925 0.002121
N 0.190067 0.141731 0.001017
C 4.620265 -0.737849 -0.004405
C 5.516671 0.525169 -0.002795
C -1.789051 -1.050020 0.001582
C -1.199303 0.219775 0.001410
C 3.133154 -0.355401 -0.000623
C 7.025973 0.187752 -0.009096
C 0.448648 -1.195014 0.001149
C -3.202516 -1.277683 0.001891
C -3.376234 1.276608 0.002168
C -1.315550 2.697106 0.000952
C 7.916427 1.449028 -0.006230
C -5.411268 -0.139168 0.001913
H 4.855796 -1.355953 0.884380
H 4.852066 -1.351391 -0.897294
H 5.284681 1.143053 0.889145
H 5.278744 1.149704 -0.888501
H 2.841399 0.216120 -0.895710
H 2.845719 0.215137 0.896510
H 7.263959 -0.437796 0.875037
H 7.258275 -0.429752 -0.900350
H -0.803166 -2.967797 0.001505
H -1.621763 3.267213 -0.891627
H -0.228846 2.526542 0.003402
H -1.625849 3.269851 0.890351
H 7.719742 2.075473 -0.896534
H 7.723348 2.068660 0.889626
H 8.989532 1.184887 -0.009390
H -5.826090 0.357944 -0.890179
H -5.826330 0.359433 0.893039
H -5.652740 -1.212119 0.002645


