%chk=000063953.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063953

0 1
 S   0.3588000      -1.781500      0.7248000    
 O    3.853100      -2.583500      0.3332000    
 O   -1.265400       2.425300       1.707000    
 O   -4.333700     -0.7660000       2.486900    
 N    2.520100     -0.8278000     -0.5004000    
 N    3.409900       1.365500     -0.6078000    
 N   0.3406000       1.554600     -0.4340000    
 N   -2.675800      -2.544700       1.069800    
 N    1.054500      -2.414300      -1.658800    
 N  -0.1094000      -3.120200      -1.409200    
 C    2.439800      0.5277000     -0.8128000    
 C    1.202800       1.094800      -1.478800    
 C    4.815400     -0.4637000      0.2154000    
 C    3.696600      -1.409100      8.7000001E-03
 C    4.615300      0.8867000     -7.9899997E-02
 C    1.402600      -1.681500     -0.6285000    
 C    6.041600     -0.9113000      0.7209000    
 C  -0.9215000       2.104900     -0.6466000    
 C    5.663400       1.788800      0.1376000    
 C  -0.5760000      -2.880900     -0.2023000    
 C   -1.798300      -3.477200      0.3725000    
 C    7.076600     -1.5000000E-03  0.9317000    
 C    6.887800       1.347800      0.6416000    
 C   -1.718200       2.537700      0.4263000    
 C   -1.420800       2.236500      -1.952400    
 C   -3.615100      -1.767900      0.4273000    
 C   -2.980000       3.087300      0.1987000    
 C   -2.682600       2.786000      -2.179800    
 C   -4.450000     -0.8733000       1.133200    
 C   -3.462200       3.211300      -1.104200    
 C   -3.773500      -1.843200     -0.9737000    
 C   -5.396600     -9.2600003E-02  0.4696000    
 C   -4.720100      -1.062500      -1.637100    
 C   -5.531700     -0.1873000     -0.9155000    
 C  -0.5319000       3.528800       2.233500    
 C   -3.415900      0.2061000       2.982900    
 H    1.505100       1.927000      -2.125700    
 H   0.7210000      0.3339000      -2.099500    
 H   0.6443000       1.470800      0.5306000    
 H    6.208000      -1.958600      0.9574000    
 H    5.532200       2.844400     -8.8600002E-02
 H   -2.344800      -4.067600     -0.3724000    
 H   -1.475400      -4.220300       1.114300    
 H    8.029700     -0.3444000       1.323800    
 H    7.693900       2.056900      0.8058000    
 H   -2.576100      -2.451600       2.074100    
 H  -0.8476000       1.920200      -2.819500    
 H   -3.594000       3.419100       1.031600    
 H   -3.059100       2.882100      -3.194000    
 H   -4.445400       3.637400      -1.281100    
 H   -3.165600      -2.499200      -1.589600    
 H   -6.031600      0.5924000       1.024900    
 H   -4.823800      -1.133100      -2.715900    
 H   -6.267200      0.4222000      -1.432200    
 H  -0.2093000       3.272900       3.246400    
 H   0.3550000       3.733600       1.625700    
 H   -1.166200       4.419600       2.283200    
 H   -2.410400      2.8700000E-02   2.590000    
 H   -3.382800      0.1198000       4.072500    
 H   -3.755000       1.213500       2.724700    


%chk=000063953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063953

0 1
S 0.571252 -1.549959 1.192589
O 3.651416 -2.248855 0.978597
O 0.239884 3.813340 1.428835
O -5.005862 -0.975579 1.919771
N 2.745390 -0.497238 -0.320098
N 4.114023 1.298819 -1.163850
N 1.037685 2.133583 -0.430532
N -2.967565 -2.315304 0.919412
N 0.927141 -1.607403 -1.452854
N -0.271475 -2.297930 -1.221234
C 2.932911 0.728271 -1.025934
C 1.715655 1.480623 -1.549053
C 5.151400 -0.516096 0.172066
C 3.848611 -1.179458 0.342109
C 5.247062 0.688465 -0.592155
C 1.492575 -1.164568 -0.326471
C 6.313013 -1.089265 0.751983
C -0.347315 2.204121 -0.228914
C 6.515722 1.302567 -0.768660
C -0.603692 -2.379917 0.068997
C -1.823063 -3.139564 0.567894
C 7.561882 -0.471681 0.571081
C 7.660455 0.725495 -0.192604
C -0.807554 3.109307 0.785197
C -1.317488 1.451970 -0.937489
C -3.881751 -1.804901 -0.007034
C -2.175904 3.257690 1.069641
C -2.695291 1.601844 -0.652942
C -5.006794 -1.082618 0.510095
C -3.129267 2.498899 0.343638
C -3.771768 -1.963308 -1.411726
C -5.986248 -0.548288 -0.344589
C -4.765300 -1.433539 -2.270495
C -5.868627 -0.728287 -1.747942
C -0.130960 4.783099 2.455750
C -6.074805 -0.194699 2.536794
H 2.106868 2.211653 -2.281735
H 1.027566 0.805199 -2.076028
H 1.584334 2.806762 0.111396
H 6.204664 -2.013069 1.329207
H 6.565994 2.223770 -1.356494
H -2.097228 -3.849860 -0.235312
H -1.533227 -3.740490 1.448262
H 8.460960 -0.911148 1.015217
H 8.637295 1.201341 -0.331499
H -3.132137 -2.063165 1.893794
H -1.012418 0.748801 -1.719425
H -2.509945 3.956470 1.843246
H -3.424516 1.008689 -1.213333
H -4.197119 2.611811 0.558834
H -2.897934 -2.463830 -1.839917
H -6.842119 -0.000310 0.062155
H -4.660861 -1.566871 -3.352690
H -6.632439 -0.314823 -2.414413
H 0.817869 5.214353 2.808444
H -0.773353 5.582921 2.038117
H -0.653963 4.292073 3.299598
H -6.064328 0.851587 2.173762
H -5.867873 -0.215677 3.617156
H -7.066336 -0.646325 2.338083


