%chk=000013947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013947

0 1
 S   -2.049700      -2.046500      8.6499996E-02
 O   0.3357000      -1.004800      -1.608000    
 O   -2.082600      -2.547200      -1.274200    
 O   -2.642600      -2.811800       1.166100    
 N    1.760600     -0.9186000      0.2096000    
 N  -0.4422000      -1.638400      0.5012000    
 C    2.923400     -0.4288000     -0.5022000    
 C    2.864900       1.099800     -0.5847000    
 C    4.199700      -1.033400      9.1600001E-02
 C    4.178400       1.779800     -0.9612000    
 C    4.779500     -0.2803000       1.288100    
 C    5.062600       2.064800      0.2519000    
 C    5.729400      0.8428000      0.8742000    
 C   0.5544000      -1.167000     -0.4113000    
 C   -2.818400     -0.4551000      0.1058000    
 C   -2.846400      0.2955000      -1.056900    
 C   -3.378100      1.1500000E-02   1.282800    
 C   -4.021500       2.037700      0.1348000    
 C   -3.452600       1.551700      -1.042200    
 C   -3.984300       1.267700       1.297300    
 C   -4.670300       3.380700      0.1507000    
 H    2.849700     -0.8148000      -1.528100    
 H    2.488900       1.520500      0.3575000    
 H    2.110100       1.365700      -1.337300    
 H    4.963000      -1.105500     -0.6939000    
 H    3.994500      -2.068400      0.3969000    
 H    3.934000       2.746900      -1.419100    
 H    4.721600       1.206000      -1.720400    
 H    5.362900     -0.9959000       1.881500    
 H    3.989000      9.6400000E-02   1.946700    
 H    4.478300       2.589000       1.018600    
 H    5.853900       2.760800     -5.4099999E-02
 H    6.484300      0.4497000      0.1817000    
 H    6.279000       1.175000       1.764000    
 H    1.820500      -1.036700       1.216500    
 H  -0.1631000      -1.784100       1.479600    
 H   -2.406300     -6.3699998E-02  -1.981900    
 H   -3.352900     -0.5687000       2.199900    
 H   -3.476200       2.141900      -1.954500    
 H   -4.424300       1.635700       2.220500    
 H   -4.579700       3.851500       1.135500    
 H   -4.198700       4.056000     -0.5714000    
 H   -5.732200       3.287700     -9.7499996E-02


%chk=000013947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013947

0 1
S -2.044220 -1.919211 0.623632
O 0.081793 -0.377742 -1.037866
O -2.031910 -2.880103 -0.674869
O -2.519665 -2.485867 2.074442
N 1.852931 -0.729436 0.458316
N -0.334061 -1.359056 1.045739
C 2.873940 -0.043411 -0.374184
C 3.110036 1.393475 0.175253
C 4.150223 -0.920927 -0.497558
C 4.386386 2.108464 -0.338431
C 5.204000 -0.781851 0.633128
C 5.649146 1.802505 0.508695
C 6.216008 0.367378 0.388379
C 0.523999 -0.800372 0.073414
C -2.989916 -0.335108 0.250425
C -2.941919 0.197417 -1.046426
C -3.749697 0.207683 1.298025
C -4.499095 1.953612 -0.275443
C -3.710273 1.355387 -1.294751
C -4.505649 1.367218 1.018042
C -5.341427 3.180929 -0.571459
H 2.411616 0.033022 -1.375042
H 3.157567 1.350827 1.283275
H 2.209533 1.988098 -0.070180
H 4.647370 -0.676945 -1.456922
H 3.815652 -1.972245 -0.589239
H 4.211476 3.201790 -0.307013
H 4.567715 1.859075 -1.404018
H 5.772561 -1.730144 0.700906
H 4.714153 -0.648977 1.621314
H 5.405687 2.009161 1.572094
H 6.452281 2.515259 0.231940
H 6.646393 0.229909 -0.625580
H 7.060205 0.266324 1.100100
H 2.142354 -1.067223 1.378101
H -0.016447 -1.805846 1.914567
H -2.312856 -0.260015 -1.813896
H -3.757233 -0.268572 2.283611
H -3.690175 1.802490 -2.294973
H -5.109727 1.817768 1.813754
H -5.499878 3.793156 0.333084
H -4.872819 3.818453 -1.341058
H -6.339855 2.888752 -0.950730


