%chk=000178600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178600

0 1
 S   0.2484000       2.196900     -0.3015000    
 P  -3.9500002E-02  0.5875000       1.004400    
 O  -0.7310000       3.185800      0.1047000    
 O   0.2544000       1.653700      -1.645500    
 N    1.260600     -0.4055000      0.5245000    
 N   -1.434900     -0.1146000      0.2981000    
 C    1.493500     -0.5330000     -0.9132000    
 C    2.511400     -0.2523000       1.285000    
 C   -2.688600      0.5987000      0.5919000    
 C   -1.584800      -1.562000      0.5195000    
 C    2.297800      -1.803100      -1.219800    
 C    3.750300     -0.8299000      0.5857000    
 C   -3.850700      7.2499998E-02 -0.2535000    
 C   -2.715400      -2.150000     -0.3281000    
 C    3.403800      -2.083200     -0.2016000    
 C   -4.032100      -1.428600     -7.5900003E-02
 C    1.856900       2.867000      2.5300000E-02
 H    2.078900      0.2990000      -1.317800    
 H   0.5697000     -0.6441000      -1.493500    
 H    2.385300     -0.7810000       2.239500    
 H    2.730600      0.7894000       1.544600    
 H   -2.613100       1.668600      0.3780000    
 H   -2.944300      0.5058000       1.656800    
 H   -1.779700      -1.771800       1.580600    
 H  -0.6778000      -2.115000      0.2487000    
 H    2.735800      -1.710100      -2.221300    
 H    1.628200      -2.671800      -1.256400    
 H    4.522900      -1.054200       1.329800    
 H    4.173200     -7.9999998E-02 -9.4800003E-02
 H   -3.665200      0.2969000      -1.311700    
 H   -4.775200      0.5907000      2.5599999E-02
 H   -2.830400      -3.216300     -0.1023000    
 H   -2.453400      -2.074600      -1.391200    
 H    3.067600      -2.863600      0.4928000    
 H    4.291300      -2.477500     -0.7091000    
 H   -4.377900      -1.639500      0.9434000    
 H   -4.802100      -1.798900     -0.7615000    
 H    1.941900       3.094000       1.089700    
 H    2.637700       2.181200     -0.2975000    
 H    1.946900       3.794600     -0.5461000    


%chk=000178600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178600

0 1
S -0.360941 2.279880 -0.597458
P 0.247535 0.345962 1.506733
O -1.770815 3.132364 -0.351314
O -0.343750 1.292642 -1.958009
N 1.570205 -0.427032 0.668702
N -1.192464 -0.542870 1.111463
C 1.690220 -0.773528 -0.776016
C 2.894310 -0.366125 1.372496
C -2.474361 -0.005233 1.662034
C -1.387781 -1.687703 0.191577
C 2.189105 -2.233914 -0.943972
C 3.878267 -1.405212 0.759881
C -3.468709 0.378503 0.540104
C -2.308744 -1.301276 -0.991076
C 3.110581 -2.641097 0.241371
C -3.667268 -0.788147 -0.456122
C 0.910613 3.659804 -1.060725
H 2.426933 -0.072953 -1.223061
H 0.747095 -0.551363 -1.302785
H 2.731360 -0.591681 2.441911
H 3.335044 0.651868 1.301258
H -2.255295 0.872707 2.297794
H -2.908444 -0.798882 2.306920
H -1.867395 -2.497080 0.784701
H -0.409519 -2.057042 -0.147527
H 2.739440 -2.302863 -1.902191
H 1.337400 -2.936788 -1.015694
H 4.618778 -1.685929 1.531143
H 4.443868 -0.948951 -0.074707
H -3.093555 1.281971 0.023041
H -4.432192 0.648859 1.015112
H -2.453898 -2.190125 -1.635469
H -1.810293 -0.512795 -1.587575
H 2.500135 -3.056202 1.066336
H 3.814049 -3.434901 -0.070010
H -4.207094 -1.622023 0.042285
H -4.300309 -0.452471 -1.298058
H 0.952995 4.368088 -0.220897
H 1.876047 3.172458 -1.260037
H 0.489847 4.120781 -1.965858


