%chk=000064535.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064535

0 1
 S    7.211600     -0.9345000      6.4599998E-02
 P    8.739400      0.4974000      6.7299999E-02
 O    10.16870     -0.2654000     -2.1600001E-02
 O    8.717500       1.307600      -1.338200    
 O    8.639200       1.404900       1.263300    
 N   -1.677400     -0.4239000     -1.0200000E-02
 N    2.007800     -0.9913000     -1.4300000E-02
 C   -4.132200     -0.5069000      8.6000003E-03
 C   -6.662200     -0.6553000      5.5199999E-02
 C   -5.538100       1.156300      -1.288400    
 C   -5.496900       1.245600       1.229700    
 C   -5.350300      -1.459300      6.2100001E-02
 C   -4.229100      0.3474000      -1.277700    
 C   -4.188100      0.4363000       1.233600    
 C   -6.731700      0.1887000      -1.228300    
 C   -6.690700      0.2775000       1.277300    
 C   -5.572100       2.080100     -5.9700001E-02
 C   -2.829000      -1.310300      1.5699999E-02
 C  -0.4324000      -1.181800      6.6000000E-03
 C   0.7616000     -0.2335000     -4.9100000E-02
 C    3.157900     -9.8899998E-02 -3.0099999E-02
 C    4.457000     -0.9042000      1.4100000E-02
 C    5.669600      2.3499999E-02  1.9900000E-02
 H   -7.516000      -1.341000      9.3500003E-02
 H   -5.595000       1.756000      -2.203800    
 H   -5.524200       1.908800       2.101600    
 H   -5.334200      -2.144800     -0.7951000    
 H   -5.305800      -2.082600      0.9645000    
 H   -3.401200       1.060300      -1.360000    
 H   -4.185100     -0.2955000      -2.166200    
 H   -4.117700     -0.1439000       2.162900    
 H   -3.344800       1.138000       1.235900    
 H   -6.727800     -0.4663000      -2.108300    
 H   -7.672200      0.7524000      -1.255300    
 H   -7.630600      0.8428000       1.294900    
 H   -6.657400     -0.3135000       2.200800    
 H   -4.734200       2.786900     -9.8399997E-02
 H   -6.492300       2.677200     -6.5899998E-02
 H   -2.807100      -1.984200     -0.8505000    
 H   -2.794300      -1.937100      0.9160000    
 H   -1.690000      0.1524000     -0.8492000    
 H  -0.3960000      -1.867500     -0.8495000    
 H  -0.3762000      -1.784200      0.9220000    
 H   0.7180000      0.4523000      0.8065000    
 H   0.7136000      0.3691000     -0.9651000    
 H    2.049000      -1.624800     -0.8122000    
 H    3.123300      0.5719000      0.8370000    
 H    3.146000      0.5210000     -0.9351000    
 H    4.501700      -1.573000     -0.8555000    
 H    4.464500      -1.534800      0.9129000    
 H    5.645100      0.6821000      0.8940000    
 H    5.677900      0.6508000     -0.8772000    
 H    10.99070      0.2586000      8.8200003E-02
 H    9.302800       2.087900      -1.442100    


%chk=000064535-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064535

0 1
S 7.336345 -1.133830 0.241333
P 8.960030 0.412340 0.047539
O 10.424348 -0.514885 0.103548
O 8.866521 0.707364 -1.644922
O 8.937223 1.691057 0.997655
N -1.651741 -0.284790 -0.162110
N 2.102691 -0.714779 -0.066875
C -4.181993 -0.444203 -0.046075
C -6.711883 -0.813387 0.062276
C -5.783942 1.155447 -1.238174
C -5.668145 1.141807 1.296146
C -5.324832 -1.504514 -0.006799
C -4.395668 0.460392 -1.297367
C -4.284396 0.441313 1.229785
C -6.902610 0.078836 -1.193611
C -6.789482 0.067054 1.339196
C -5.860566 2.034967 0.039779
C -2.824356 -1.187179 -0.103659
C -0.355177 -0.982767 -0.050252
C 0.817269 0.013943 -0.090767
C 3.312208 0.131189 -0.041386
C 4.570863 -0.757785 0.086780
C 5.861232 0.074700 0.040295
H -7.506730 -1.585392 0.093498
H -5.914369 1.791009 -2.136894
H -5.719016 1.768684 2.208660
H -5.269389 -2.149002 -0.909028
H -5.187542 -2.163793 0.875500
H -3.606370 1.239108 -1.343425
H -4.316491 -0.151096 -2.221290
H -4.137707 -0.192781 2.128969
H -3.463664 1.183715 1.224104
H -6.868876 -0.544111 -2.110720
H -7.897296 0.567957 -1.166224
H -7.783321 0.554638 1.404771
H -6.674073 -0.565572 2.242762
H -5.076658 2.818375 0.008521
H -6.841125 2.550443 0.085907
H -2.847679 -1.908988 -0.963389
H -2.720155 -1.798066 0.816554
H -1.678955 0.312323 -1.001148
H -0.205581 -1.753408 -0.855496
H -0.325450 -1.525214 0.912886
H 0.764071 0.668874 0.798584
H 0.708785 0.679818 -0.987887
H 2.150931 -1.417422 -0.819480
H 3.241493 0.802502 0.836998
H 3.409504 0.790367 -0.942642
H 4.577783 -1.498638 -0.738585
H 4.506805 -1.323507 1.034062
H 5.911436 0.804126 0.865426
H 5.987492 0.586007 -0.928354
H 10.897111 -0.462411 0.973847
H 9.461698 1.424467 -1.987119


