%chk=000037419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037419

0 1
 S   -1.394200      0.1214000       2.769900    
 P   -1.267800     -0.4784000      0.9079000    
 O   0.2506000     -0.8449000      0.4511000    
 O   -1.946200      -1.948600      0.6790000    
 O    3.934600      -2.171600     -0.6942000    
 O    1.862500      -2.625000     -0.1288000    
 N   -1.907300      0.4926000     -0.2815000    
 N    2.788500      -1.806400     -0.3399000    
 C   -3.276000      0.9946000     -0.1602000    
 C   -3.521500       2.183600      -1.102500    
 C   -4.247100     -0.1431000     -0.4725000    
 C   -2.603800       3.370900     -0.8394000    
 C    1.274200      3.4899998E-02  0.2187000    
 C   -1.761000      -2.641200     -0.5451000    
 C    2.530800     -0.4184000     -0.1717000    
 C    1.034000       1.396500      0.3785000    
 C    2.059600       2.312900      0.1456000    
 C    3.556500      0.4979000     -0.4044000    
 C    3.320800       1.863500     -0.2458000    
 C   -2.494500      -3.963800     -0.4790000    
 C    1.807300       3.772800      0.3145000    
 H   -3.458200       1.342500      0.8623000    
 H   -4.560300       2.519400     -0.9937000    
 H   -3.402300       1.869400      -2.147300    
 H   -1.724200      0.2246000      -1.247900    
 H   -4.194900     -0.9407000      0.2734000    
 H   -4.065600     -0.5747000      -1.462900    
 H   -5.279100      0.2260000     -0.4630000    
 H   -2.683500       3.704900      0.1999000    
 H   -1.557900       3.122600      -1.043600    
 H   -2.879000       4.209300      -1.487300    
 H  -0.6983000      -2.828600     -0.7110000    
 H   -2.143100      -2.045600      -1.377600    
 H   7.5199999E-02   1.793700      0.6857000    
 H    4.552100      0.1873000     -0.7112000    
 H    4.128200       2.566800     -0.4322000    
 H   -3.563500      -3.802600     -0.3051000    
 H   -2.123700      -4.569300      0.3548000    
 H   -2.369200      -4.527400      -1.407800    
 H    1.229700       3.962900       1.225500    
 H    1.251300       4.159900     -0.5453000    
 H    2.742100       4.336600      0.4020000    


%chk=000037419-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037419

0 1
S -2.143650 0.787920 2.582076
P -1.601289 -0.429310 1.015886
O 0.154541 -0.691838 0.622115
O -1.910618 -2.086920 1.381839
O 2.188404 -0.902494 -2.941879
O 0.058484 -1.052724 -2.168707
N -2.104221 0.039787 -0.545897
N 1.270328 -0.585400 -2.093080
C -3.319439 0.830501 -0.861974
C -2.959998 1.974767 -1.846398
C -4.440268 -0.078329 -1.416980
C -1.968870 3.004028 -1.267606
C 0.997119 0.352409 0.253386
C -1.609411 -3.148428 0.366195
C 1.612574 0.374596 -1.034585
C 1.369472 1.336599 1.197395
C 2.323439 2.335906 0.889742
C 2.607448 1.335585 -1.336605
C 2.948352 2.313436 -0.388807
C -2.209469 -4.434287 0.926500
C 2.667834 3.405482 1.906109
H -3.657196 1.283868 0.091585
H -3.903888 2.480171 -2.130997
H -2.551882 1.530833 -2.778149
H -1.510661 -0.302104 -1.320406
H -4.687323 -0.877101 -0.695529
H -4.127539 -0.551217 -2.366829
H -5.355845 0.510073 -1.611716
H -2.378900 3.480758 -0.358270
H -1.015513 2.521453 -0.987932
H -1.749240 3.798998 -2.003382
H -0.514434 -3.212590 0.244861
H -2.066320 -2.865422 -0.602457
H 0.899970 1.299803 2.186027
H 3.087918 1.300535 -2.318450
H 3.704001 3.066131 -0.636508
H -3.300399 -4.335243 1.056334
H -1.761669 -4.674848 1.905326
H -2.010071 -5.272470 0.233085
H 2.729514 2.988699 2.926517
H 1.886803 4.189883 1.924217
H 3.627713 3.895707 1.671848


