%chk=000178593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178593

0 1
 S   0.3894000      -1.483400     -0.2994000    
 P  -0.1319000      0.1275000      0.9347000    
 O   0.3086000     -0.9706000      -1.653100    
 O  -0.4173000      -2.610100      0.1265000    
 N   -1.753900      0.3384000      0.4790000    
 N   0.7352000       1.365800      0.1616000    
 C   -2.060500      0.2674000     -0.9498000    
 C   -2.756900     -0.5054000       1.128900    
 C    2.180100       1.423200      0.3831000    
 C   0.2621000       2.736100      0.3597000    
 C   -3.581900      0.2999000     -0.9964000    
 C   -4.036900     -0.1685000      0.3794000    
 C    2.589500       2.714800     -0.3079000    
 C    1.343500       3.590300     -0.2875000    
 C    2.088000      -1.871100      2.8500000E-02
 C    2.588800      -2.918400     -0.9550000    
 C    2.254100      -2.335800       1.467800    
 H   -1.832300     -0.6911000      -1.417200    
 H   -1.631900       1.081400      -1.543300    
 H   -2.861900     -0.2824000       2.196600    
 H   -2.547400      -1.575800       1.022500    
 H    2.774900      0.6732000     -0.1072000    
 H    2.438600       1.463100       1.448900    
 H   0.1875000       2.988900       1.426200    
 H  -0.7087000       2.932400     -0.1081000    
 H   -3.979500     -0.3391000      -1.792100    
 H   -3.942300       1.319600      -1.176700    
 H   -4.580300      0.6389000      0.8845000    
 H   -4.705800      -1.032500      0.3141000    
 H    2.889100       2.527900      -1.346500    
 H    3.430800       3.195500      0.2018000    
 H    1.509300       4.515600      0.2735000    
 H    1.064700       3.863500      -1.311900    
 H    2.729700      -1.033000     -0.1529000    
 H    3.640000      -3.162000     -0.7668000    
 H    2.010300      -3.845800     -0.8798000    
 H    2.509500      -2.563100      -1.988000    
 H    3.297900      -2.605900       1.663800    
 H    1.642100      -3.217500       1.685800    
 H    1.986400      -1.555200       2.185400    


%chk=000178593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178593

0 1
S 0.719013 -2.148140 1.408175
P -0.089881 0.964120 1.517405
O 0.950632 -0.431683 0.717703
O -0.711311 -2.763538 0.851523
N -1.601338 0.844062 0.629716
N 0.747752 2.202354 0.613317
C -1.688562 0.385955 -0.796888
C -2.803642 0.366812 1.401136
C 2.122165 2.619678 1.018429
C 0.311825 2.877742 -0.633715
C -2.779892 -0.706617 -0.775260
C -3.754073 -0.190937 0.313072
C 2.587401 3.538350 -0.141454
C 1.260339 4.095999 -0.717246
C 2.052182 -2.901198 0.152927
C 1.519217 -2.689583 -1.262265
C 2.231433 -4.371173 0.553352
H -0.710233 -0.006499 -1.126495
H -1.981086 1.227670 -1.456695
H -3.260057 1.196450 1.970664
H -2.527483 -0.439052 2.111107
H 2.788527 1.746595 1.142690
H 2.092107 3.173598 1.979661
H -0.754190 3.157350 -0.561660
H 0.438604 2.226591 -1.524371
H -2.331169 -1.665276 -0.457188
H -3.264583 -0.835474 -1.758989
H -4.393239 0.617608 -0.089498
H -4.409345 -0.983431 0.712585
H 3.108384 2.939430 -0.910939
H 3.276132 4.328165 0.203976
H 0.881025 4.917165 -0.081508
H 1.364677 4.474436 -1.748814
H 2.939531 -2.284773 0.376435
H 2.177594 -3.197431 -1.992275
H 0.503614 -3.120260 -1.347262
H 1.469272 -1.615886 -1.505648
H 2.978569 -4.847248 -0.109087
H 1.278609 -4.920256 0.440658
H 2.582184 -4.484976 1.595424


