%chk=000001994.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001994

0 1
 S   -2.187000     -0.9577000      0.2749000    
 O   -5.752800      -1.873100     -0.4822000    
 O   -4.740500      -1.348900      -2.441900    
 O   -5.435500       2.657900      0.7163000    
 N   -5.143800      0.3479000      0.7196000    
 C    3.851400      -2.616300      0.7299000    
 C    2.373200      -3.026400      0.7108000    
 C    5.126000       1.025900       1.646400    
 C    4.986500     -0.3332000      0.9943000    
 C    4.080500      -1.265600       1.349300    
 C    1.465600      -2.035200      1.3600000E-02
 C    4.946700       2.208200      0.6859000    
 C   0.4832000      -1.346100      0.6280000    
 C    5.925600     -0.5943000     -0.1550000    
 C  -0.4856000     -0.3909000     -9.9999997E-05
 C   -4.573900      0.2171000     -0.5982000    
 C    1.680800      -1.884900      -1.469700    
 C   -3.051800      0.3780000     -0.5826000    
 C    3.589400       2.242600      3.9299998E-02
 C    3.307500       2.236000      -1.277100    
 C   -5.012600      -1.067700      -1.281100    
 C    1.880900       2.301900      -1.753000    
 C    4.327900       2.149500      -2.375900    
 C   -5.527100       1.563000       1.265400    
 C   -6.114500       1.412300       2.643100    
 H    4.406800      -3.361700       1.311800    
 H    4.235900      -2.656800     -0.2946000    
 H    2.275700      -4.005500      0.2250000    
 H    2.034700      -3.173400       1.745300    
 H    4.404500       1.120700       2.468700    
 H    6.119200       1.091000       2.108400    
 H    3.442000      -1.034500       2.201300    
 H    5.058100       3.134600       1.264000    
 H    5.764000       2.219400     -3.8800001E-02
 H   0.3713000      -1.485700       1.703100    
 H    5.493900     -0.2440000      -1.096100    
 H    6.179600      -1.653500     -0.2594000    
 H    6.877700     -7.5300001E-02  2.3000001E-03
 H  -0.3647000      0.5839000      0.4849000    
 H  -0.3252000     -0.2419000      -1.068900    
 H   -4.996800       1.029300      -1.204000    
 H   -2.783600       1.327600     -0.1062000    
 H   -2.685100      0.4058000      -1.614800    
 H    2.119300      -2.799300      -1.885700    
 H   0.7553000      -1.726400      -2.028900    
 H    2.373200      -1.062000      -1.672300    
 H    2.758600       2.305800      0.7411000    
 H   -5.255500     -0.4960000       1.274400    
 H    1.731000       3.188000      -2.378400    
 H    1.636200       1.413700      -2.344400    
 H    1.166600       2.356300     -0.9248000    
 H    4.159300       1.245200      -2.970500    
 H    5.361800       2.121800      -2.030000    
 H    4.234800       3.016000      -3.039500    
 H   -7.093400      0.9306000       2.571800    
 H   -6.230400       2.396900       3.104300    
 H   -5.454700      0.8069000       3.271200    
 H   -6.030800      -2.692700     -0.9440000    


%chk=000001994-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001994

0 1
S -2.054538 0.227249 2.123648
O -3.174397 -0.585779 -1.893870
O -1.604409 1.027700 -1.351175
O -6.503934 1.025691 -0.567130
N -4.669626 -0.100869 0.304210
C 3.584222 -2.516095 1.540988
C 2.246258 -2.265566 2.304217
C 5.771931 0.477085 0.129644
C 4.984329 -0.829979 0.155452
C 4.380701 -1.248002 1.305826
C 1.274458 -1.330495 1.593484
C 5.314964 1.500391 -0.955812
C 0.725031 -0.271171 2.260835
C 4.963325 -1.600656 -1.154018
C -0.233475 0.729746 1.687645
C -3.727551 0.947166 -0.077063
C 0.969417 -1.660708 0.144886
C -3.002875 1.553761 1.142512
C 3.893398 1.987049 -0.754629
C 2.923904 2.185958 -1.694319
C -2.714285 0.488313 -1.135020
C 1.554840 2.720948 -1.303773
C 3.096550 1.924545 -3.181602
C -6.022989 0.004810 0.015313
C -6.882513 -1.177014 0.443214
H 4.182288 -3.224707 2.153083
H 3.372714 -3.036073 0.589211
H 1.755596 -3.252194 2.451364
H 2.471423 -1.868325 3.312933
H 5.712480 0.961356 1.124011
H 6.845143 0.251840 -0.052811
H 4.470385 -0.596320 2.190584
H 6.010700 2.365714 -0.903374
H 5.451512 1.064854 -1.962877
H 0.995026 -0.125854 3.316570
H 4.387321 -1.052781 -1.925938
H 4.522466 -2.606017 -1.055612
H 5.991059 -1.721777 -1.550175
H -0.092028 1.725733 2.139318
H -0.189563 0.812395 0.592633
H -4.355036 1.731951 -0.558377
H -3.740823 2.004348 1.824052
H -2.275933 2.317683 0.823268
H 0.790013 -2.746706 0.023864
H 0.087241 -1.122540 -0.236444
H 1.832170 -1.397317 -0.498135
H 3.637137 2.218493 0.292160
H -4.290216 -0.934418 0.758719
H 1.339308 3.674332 -1.827875
H 0.743629 2.020499 -1.582437
H 1.487594 2.907647 -0.217312
H 2.302631 1.245430 -3.551338
H 4.074328 1.483002 -3.436017
H 2.994538 2.866933 -3.756546
H -7.318632 -1.646916 -0.455599
H -7.720341 -0.809513 1.059368
H -6.325293 -1.942020 1.010271
H -2.502172 -0.798009 -2.597707


