%chk=000026033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026033

0 1
 S    4.171700     -0.2500000       2.346400    
 P    3.846300      0.1743000      0.4717000    
 O    2.396100      0.8309000      0.1137000    
 O    3.923900      -1.053800     -0.5926000    
 O    4.867200       1.244000     -0.2093000    
 O   -4.791300       1.229500     -9.9900000E-02
 O   -5.458800     -0.8965000     -0.7273000    
 N  -0.9417000      0.1996000     -4.9100000E-02
 N   -1.458500      -2.059500      0.5911000    
 N   0.1262000       1.028100     -0.1904000    
 C  -0.5510000      -1.065600      0.3827000    
 C   -3.220400     -0.4421000     -9.4400004E-02
 C   -2.281100      0.4936000     -0.2827000    
 C   -2.710200      -1.774200      0.3697000    
 C    1.174900      0.2811000      0.1526000    
 C   0.8180000      -1.024000      0.5170000    
 C   -3.723400      -2.869900      0.5981000    
 C   -4.616200     -9.4099998E-02 -0.3501000    
 C    5.062100      -1.898500     -0.6108000    
 C    4.857000       2.596800      0.2145000    
 C   -6.117900       1.725800     -0.3057000    
 C    4.879300      -2.949200      -1.685200    
 C    5.893800       3.368400     -0.5736000    
 C   -6.146000       3.205300      1.3800000E-02
 H   -2.477800       1.502000     -0.6287000    
 H    1.454900      -1.837300      0.8332000    
 H   -4.124700      -3.204600     -0.3624000    
 H   -3.252200      -3.724400       1.093400    
 H   -4.534400      -2.510100       1.237100    
 H    5.176200      -2.387600      0.3607000    
 H    5.954500      -1.298400     -0.8137000    
 H    5.086200       2.648300       1.282800    
 H    3.864100       3.024500      4.5400001E-02
 H   -6.409000       1.566600      -1.350000    
 H   -6.813500       1.191400      0.3510000    
 H    4.749400      -2.479100      -2.665500    
 H    3.978600      -3.542300      -1.495000    
 H    5.741900      -3.620000      -1.726800    
 H    5.682400       3.312900      -1.646600    
 H    6.890100       2.939700     -0.4231000    
 H    5.912300       4.419200     -0.2713000    
 H   -7.147700       3.618500     -0.1336000    
 H   -5.839600       3.381400       1.050200    
 H   -5.441200       3.750200     -0.6229000    


%chk=000026033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026033

0 1
S 3.450465 0.396205 2.228148
P 3.743170 0.347021 0.192214
O 2.380669 0.744195 -0.854147
O 4.199418 -1.142983 -0.534742
O 4.894121 1.414794 -0.499273
O -4.833509 1.307658 0.218238
O -5.688161 -0.856173 0.108276
N -1.005931 0.183895 -0.376900
N -1.570881 -2.190923 -0.513649
N 0.076996 1.055501 -0.433968
C -0.629804 -1.201454 -0.546281
C -3.281085 -0.470348 -0.147329
C -2.307558 0.537986 -0.183049
C -2.869384 -1.863974 -0.321286
C 1.123187 0.193209 -0.658934
C 0.761615 -1.183520 -0.731724
C -3.845295 -3.014332 -0.297355
C -4.701210 -0.079792 0.065016
C 5.241075 -1.982331 0.141298
C 4.819702 2.868561 -0.134686
C -6.225506 1.809008 0.435380
C 5.242190 -3.319551 -0.591230
C 6.073750 3.512269 -0.715143
C -6.130080 3.323874 0.580552
H -2.536144 1.596752 -0.061561
H 1.419860 -2.027614 -0.907866
H -4.612657 -2.909628 -1.084385
H -3.283489 -3.949275 -0.442538
H -4.402286 -3.052456 0.655158
H 4.974871 -2.090684 1.210057
H 6.212596 -1.462021 0.054007
H 4.774730 2.957584 0.967825
H 3.895458 3.283276 -0.576301
H -6.841916 1.502281 -0.428891
H -6.632084 1.319742 1.338786
H 5.470082 -3.179243 -1.661071
H 4.261618 -3.816927 -0.501588
H 6.011683 -3.981532 -0.152819
H 6.110454 3.377348 -1.809084
H 6.982847 3.069815 -0.274185
H 6.068575 4.596014 -0.496106
H -7.138744 3.745136 0.743660
H -5.496617 3.600299 1.440639
H -5.706289 3.783239 -0.328761


