%chk=000227293.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227293

0 1
 S    1.462600      -1.970800      0.3714000    
 O   -1.131400       2.242000     -9.2500001E-02
 O    5.925900     -0.3528000       1.069600    
 O    5.163900      0.5767000     -0.8672000    
 O    1.064100       2.620500     -0.6595000    
 O   -1.311900      -1.353800      -2.406600    
 O   -1.444700      0.3146000       1.913800    
 N    2.618200      0.4231000      0.1440000    
 N  -0.9931000     -0.3212000     -0.3122000    
 C    3.271600      -1.917000      9.0800002E-02
 C    1.308000     -0.1556000      0.4543000    
 C    3.625100     -0.5200000      0.6368000    
 C   0.2653000      0.3448000     -0.5320000    
 C    3.520900      -2.099500      -1.413100    
 C    3.956300      -3.029100      0.8853000    
 C    4.961000     -2.9800000E-02  0.1741000    
 C   0.1294000       1.857300     -0.4374000    
 C   -1.637500      -1.092800      -1.263400    
 C   -1.701400     -0.2657000      0.8754000    
 C   -2.859400      -1.580800     -0.6250000    
 C   -2.898000      -1.080700      0.6681000    
 C   -1.345700       3.653700      9.2000002E-03
 C   -3.857900      -2.391100      -1.124800    
 C   -3.937500      -1.364700       1.529900    
 C   -1.046400       4.289900      -1.347500    
 C   -2.807700       3.870600      0.3936000    
 C  -0.4181000       4.209900       1.088500    
 C   -4.921200      -2.692900     -0.2690000    
 C   -4.960700      -2.184600       1.045400    
 H    1.050200      0.1028000       1.487600    
 H    3.611400     -0.4966000       1.736500    
 H   0.5746000      0.1400000      -1.566400    
 H    2.720300       1.330700      0.5965000    
 H    4.593900      -2.091700      -1.635800    
 H    3.132700      -3.061900      -1.768300    
 H    3.056400      -1.310300      -2.015300    
 H    3.609300      -4.020400      0.5710000    
 H    5.041600      -3.004200      0.7362000    
 H    3.772400      -2.935000       1.961900    
 H    6.810900     -4.1999999E-02  0.7826000    
 H   -3.828100      -2.781600      -2.135200    
 H   -3.968300     -0.9737000       2.540000    
 H   -1.492400       3.706600      -2.161500    
 H   -1.462500       5.303400      -1.394300    
 H   1.7200001E-02   4.399100      -1.573900    
 H   -3.037000       3.372200       1.342600    
 H   -3.475300       3.430000     -0.3558000    
 H   -3.050800       4.933500      0.4924000    
 H   0.6275000       4.304800      0.7850000    
 H  -0.7341000       5.218000       1.382400    
 H  -0.4368000       3.577700       1.983900    
 H   -5.730400      -3.328100     -0.6199000    
 H   -5.799800      -2.435000       1.689300    


%chk=000227293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227293

0 1
S 1.559359 -2.075466 0.615708
O -1.070659 2.354093 -0.326581
O 6.219106 -0.948535 0.148831
O 5.276267 1.014371 -0.649120
O 1.139824 2.650132 0.392950
O -1.151222 -1.209336 -2.158457
O -1.419093 0.406592 2.254749
N 2.756082 0.291050 0.252107
N -0.951432 -0.298210 0.032819
C 3.416931 -2.038237 0.042341
C 1.460530 -0.165146 0.736006
C 3.853891 -0.616720 0.561995
C 0.320543 0.390788 -0.165264
C 3.479075 -2.140643 -1.491898
C 4.140441 -3.196744 0.748281
C 5.139827 -0.077420 -0.060492
C 0.186651 1.923722 0.017147
C -1.596533 -1.052480 -0.997674
C -1.732327 -0.235438 1.220221
C -2.866577 -1.552947 -0.383976
C -2.948933 -1.063528 0.942959
C -1.472295 3.836659 -0.209838
C -3.873877 -2.361873 -0.929941
C -4.041061 -1.369229 1.768612
C -0.605939 4.663301 -1.178582
C -2.943981 3.795920 -0.650891
C -1.325261 4.273999 1.259922
C -4.982539 -2.678255 -0.102185
C -5.064699 -2.189674 1.226662
H 1.243587 0.063882 1.799290
H 4.063956 -0.730792 1.656445
H 0.616175 0.199894 -1.217077
H 2.918582 1.302937 0.291956
H 4.532166 -2.201485 -1.831379
H 2.953219 -3.045768 -1.839723
H 3.000636 -1.261969 -1.955898
H 3.714406 -4.167023 0.436399
H 5.212286 -3.185875 0.483817
H 4.047598 -3.118017 1.845596
H 7.040872 -0.540692 -0.238840
H -3.799364 -2.732532 -1.956975
H -4.093627 -0.987581 2.793037
H -0.694940 4.274518 -2.208326
H -0.958458 5.711007 -1.175294
H 0.453224 4.649021 -0.878037
H -3.537622 3.160824 0.028910
H -3.032994 3.393125 -1.674397
H -3.365761 4.816897 -0.636298
H -0.267347 4.312511 1.562366
H -1.765789 5.280330 1.383423
H -1.860387 3.575431 1.926747
H -5.787897 -3.309415 -0.492844
H -5.932021 -2.451474 1.842189


