%chk=000000987.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000987

0 1
 S    5.844000     -5.2700002E-02 -0.5032000    
 P  -0.1351000       2.876400      0.5552000    
 O   -1.343900       1.886900      0.1422000    
 O   -3.997600      -1.428000     -0.1279000    
 O   -1.733900      -2.877200      0.1620000    
 O  -0.8854000       4.005900       1.436300    
 O   0.6933000       2.033300       1.659000    
 O   0.6766000       3.403000     -0.5919000    
 O    1.464300      -2.079000     -0.4923000    
 N  -0.8839000      -1.208700       1.532100    
 N    2.709200     -0.1975000      5.9500001E-02
 C   -2.377900      8.0799997E-02  -1.153400    
 C   -2.796100     -0.7043000      0.1252000    
 C   -1.115100      0.9386000     -0.8947000    
 C   -2.123000     -0.8788000      -2.332900    
 C   -3.541500       1.016700      -1.559300    
 C   -1.766300      -1.728000      0.5984000    
 C   0.1950000      -1.977700       2.108000    
 C    1.558000      -1.363100       1.820900    
 C    1.882600      -1.276600      0.3379000    
 C    3.178900      0.1060000      -1.272500    
 C    4.498000     -0.5761000      -1.608600    
 H   -3.014800     -3.8999999E-03  0.9405000    
 H  -0.2568000      0.3174000     -0.6295000    
 H  -0.8479000       1.487700      -1.805400    
 H   -2.990800      -1.515500      -2.535400    
 H   -1.905200     -0.3194000      -3.250200    
 H   -1.262700      -1.528900      -2.142400    
 H   -3.260700       1.645300      -2.412200    
 H   -4.432800      0.4504000      -1.851600    
 H   -3.826800       1.681400     -0.7363000    
 H   -1.006000     -0.2535000       1.855500    
 H   -4.309200      -1.784600      0.7216000    
 H   2.4200000E-02  -2.003000       3.189400    
 H   0.1568000      -3.008900       1.741600    
 H    2.340800      -1.969500       2.291100    
 H    1.606100     -0.3661000       2.271700    
 H    3.021800      0.4038000      0.8159000    
 H    3.271100       1.195500      -1.345600    
 H    2.415100     -0.2071000      -1.993400    
 H  -0.3766000       4.789000       1.736600    
 H    1.528300       2.406600       2.013500    
 H    4.787900     -0.3387000      -2.636900    
 H    4.399200      -1.663700      -1.529500    
 H    6.801700     -0.8063000      -1.063100    


%chk=000000987-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000987

0 1
S 5.415786 0.855534 -1.085237
P 0.033216 2.537720 1.063899
O -1.171062 2.176829 -0.080192
O -4.024292 -1.103905 0.073508
O -1.874440 -2.680838 0.366433
O -0.360748 4.126516 1.551530
O -0.497043 1.756975 2.499013
O 1.528572 2.196769 0.669677
O 2.355116 -2.690118 -0.119879
N -0.716820 -1.031436 1.554565
N 2.473690 -0.373902 -0.301062
C -2.342649 0.259263 -1.148122
C -2.745973 -0.413620 0.226025
C -1.009661 1.023950 -1.052709
C -2.155897 -0.820083 -2.248879
C -3.481283 1.231624 -1.551145
C -1.726124 -1.466508 0.730959
C 0.331643 -1.931771 2.077931
C 1.756396 -1.365895 1.852998
C 2.220162 -1.536619 0.401179
C 2.977327 -0.429103 -1.679849
C 4.497529 -0.663882 -1.774022
H -2.894964 0.385601 0.975470
H -0.171029 0.378392 -0.731195
H -0.766311 1.490789 -2.023014
H -3.100188 -1.376170 -2.375952
H -1.909513 -0.347634 -3.217781
H -1.365801 -1.549361 -1.997385
H -3.305576 1.635611 -2.566053
H -4.442016 0.691297 -1.544343
H -3.549624 2.080294 -0.848209
H -0.773667 -0.088293 1.965430
H -3.786686 -2.068016 -0.058757
H 0.166562 -2.093593 3.160923
H 0.225100 -2.902895 1.566347
H 2.452433 -1.953055 2.480714
H 1.816463 -0.312818 2.185276
H 2.345945 0.545191 0.145746
H 2.703067 0.508699 -2.196632
H 2.482321 -1.275558 -2.191468
H -0.137671 4.865970 0.933709
H -0.866203 2.354973 3.197851
H 4.788891 -0.801631 -2.828817
H 4.775159 -1.553837 -1.188571
H 6.692761 0.336440 -1.224009


