%chk=000017527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017527

1 1
 S   0.3495000      0.2890000      -1.694200    
 P   -1.491400      1.9000000E-03 -0.7302000    
 O   -1.546900      0.9539000      0.5869000    
 O   -1.587800      -1.493000     -9.8600000E-02
 O   -2.628800      0.2775000      -1.679400    
 N    4.030000     -0.2485000      0.1292000    
 C    3.017200      7.9499997E-02 -0.9584000    
 C    3.887600      0.7463000       1.272100    
 C    3.778700      -1.656900      0.6484000    
 C    5.436700     -0.1632000     -0.4455000    
 C    1.601700     -7.9300001E-02 -0.4283000    
 C   -1.484500       2.359600      0.4163000    
 C   -2.722800      -1.870700      0.6614000    
 C   -2.657400       2.812500     -0.4398000    
 C   -1.486900       3.030500       1.781500    
 C   -3.967300      -1.753300     -0.2053000    
 C   -2.527400      -3.285800       1.183900    
 H    3.213300       1.105900      -1.291700    
 H    3.206200     -0.6039000      -1.795400    
 H    3.926300       1.760000      0.8625000    
 H    2.951900      0.5721000       1.808500    
 H    4.723300      0.5901000       1.961800    
 H    3.701700      -2.338500     -0.2039000    
 H    4.629500      -1.941300       1.276300    
 H    2.874100      -1.676800       1.261300    
 H    5.595100      0.8521000     -0.8210000    
 H    6.153800     -0.3917000      0.3485000    
 H    5.523300     -0.8910000      -1.257700    
 H    1.390700      -1.100900     -0.1057000    
 H    1.393600      0.5956000      0.4044000    
 H  -0.5455000       2.622100     -8.1900001E-02
 H   -2.811200      -1.197500       1.521400    
 H   -2.815900       3.892200     -0.3421000    
 H   -2.468200       2.633300      -1.501800    
 H   -3.585300       2.302400     -0.1608000    
 H   -1.412000       4.118500       1.693500    
 H  -0.6463000       2.669900       2.384100    
 H   -2.399500       2.784000       2.335300    
 H   -4.807500      -2.294100      0.2441000    
 H   -4.291500     -0.7127000     -0.2950000    
 H   -3.799600      -2.150700      -1.211700    
 H   -3.372300      -3.604700       1.801800    
 H   -1.612800      -3.347600       1.783500    
 H   -2.409400      -3.994200      0.3565000    


%chk=000017527-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017527

1 1
S 0.330400 1.395705 -2.194734
P -1.381503 0.572494 -0.830544
O -1.095346 1.394722 0.663384
O -0.779602 -0.978584 -0.332167
O -2.823019 0.619988 -1.489756
N 2.959479 -0.495645 0.528108
C 2.224483 -0.147691 -0.799899
C 4.189675 0.383868 0.718041
C 2.005780 -0.335239 1.718006
C 3.389852 -1.959422 0.442026
C 1.692649 1.292007 -0.874842
C -1.702930 2.785411 0.865815
C -1.708305 -2.185941 -0.493962
C -3.196082 2.651838 1.180011
C -0.876014 3.392298 1.999819
C -1.766324 -2.609753 -1.964607
C -1.118100 -3.239605 0.443480
H 2.938645 -0.350528 -1.616598
H 1.384233 -0.859600 -0.859235
H 4.884337 0.220214 -0.120390
H 3.881318 1.438927 0.746701
H 4.679922 0.117555 1.667330
H 1.037277 -0.791613 1.460419
H 2.455344 -0.827284 2.594348
H 1.855150 0.731914 1.932665
H 4.026421 -2.099307 -0.445003
H 3.951237 -2.225965 1.350703
H 2.490367 -2.588464 0.360065
H 1.231461 1.630169 0.066249
H 2.452849 2.021201 -1.197870
H -1.549498 3.350755 -0.075931
H -2.708625 -1.868766 -0.143875
H -3.623542 3.654265 1.364547
H -3.745976 2.195828 0.339683
H -3.349084 2.039985 2.085969
H -1.246737 4.408449 2.223750
H 0.190981 3.472977 1.725621
H -0.970399 2.783341 2.915575
H -2.394545 -3.513951 -2.061263
H -2.216399 -1.822629 -2.592818
H -0.758889 -2.850780 -2.348104
H -1.764968 -4.135094 0.442059
H -1.056701 -2.863619 1.478934
H -0.113272 -3.551830 0.103090


