%chk=000174715.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174715

0 1
 S   -6.011000      0.1510000      -1.299500    
 O    5.716000      -1.192100      -1.062700    
 O   -7.248500     -0.4053000      -1.813800    
 O   -5.969800      0.7706000      1.0300000E-02
 N   0.1542000     -0.1094000       1.103100    
 N   -2.167000     -0.7145000       2.637000    
 N    3.949300      0.8164000     -0.4158000    
 N   -4.773200      -1.036000      -1.458200    
 C    1.441000      0.2045000      0.5880000    
 C    2.328700     -0.8267000      0.2643000    
 C    1.808900       1.541900      0.4094000    
 C   -1.079400     -0.3427000      0.4811000    
 C   -2.227100     -0.6409000       1.227400    
 C    3.590000     -0.4702000     -0.2418000    
 C    3.090700       1.805900     -0.1021000    
 C   -3.445400     -0.8698000      0.5878000    
 C   -1.170900     -0.2771000     -0.9150000    
 C   -3.526400     -0.8022000     -0.8031000    
 C    1.985700      -2.179300      0.4343000    
 C    4.478100      -1.492300     -0.5660000    
 C   0.9373000       2.598300      0.7268000    
 C   -2.389100     -0.5059000      -1.554400    
 C    3.463100       3.135400     -0.2813000    
 C    2.891800      -3.182300      0.1028000    
 C    4.140500      -2.837700     -0.3984000    
 C    1.333900       3.919000      0.5385000    
 C    2.599700       4.187700      3.3599999E-02
 C   -2.977900      0.1673000       3.450800    
 C   -1.304100      -1.681800       3.282800    
 C   -5.450900       1.349800      -2.488300    
 C    5.831800      -1.081600      -2.477700    
 H   8.7099999E-02  8.8500001E-02   2.096500    
 H   -4.329100      -1.120400       1.170400    
 H  -0.3034000     -4.8200000E-02  -1.528700    
 H    1.019400      -2.484000      0.8271000    
 H  -5.7900000E-02   2.424300       1.127700    
 H   -2.441100     -0.4493000      -2.638600    
 H    4.449700       3.371800     -0.6758000    
 H    2.624800      -4.226100      0.2360000    
 H    4.850400      -3.618700     -0.6572000    
 H   -4.680400      -1.446800      -2.397000    
 H   0.6594000       4.733000      0.7854000    
 H    2.919400       5.214600     -0.1170000    
 H   -4.021800     -0.1625000       3.458800    
 H   -2.937000       1.195300       3.074400    
 H   -2.624400      0.1838000       4.487600    
 H   -1.860400      -2.220800       4.057900    
 H  -0.4557000      -1.186800       3.766200    
 H  -0.9212000      -2.433200       2.583400    
 H   -5.358300      0.8681000      -3.463500    
 H   -6.197800       2.145300      -2.539700    
 H   -4.496300       1.764900      -2.161000    
 H    5.179200     -0.2904000      -2.860300    
 H    5.587500      -2.034100      -2.958600    
 H    6.867400     -0.8254000      -2.718100    


%chk=000174715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174715

0 1
S -6.157813 -0.160691 -1.266989
O 5.499547 -1.593855 -1.733789
O -7.632241 -0.705409 -1.701195
O -5.955030 0.719609 0.098698
N 0.081940 0.100395 0.967162
N -2.062364 -0.015341 2.604961
N 4.056929 0.658292 -0.538614
N -4.816799 -1.848008 -1.033986
C 1.377508 0.254937 0.432292
C 2.128403 -0.855806 -0.083810
C 1.982855 1.552576 0.496100
C -1.055317 -0.497435 0.414689
C -2.219899 -0.530074 1.267774
C 3.468520 -0.574826 -0.610341
C 3.352655 1.690000 0.022031
C -3.441317 -0.982150 0.751505
C -1.154306 -0.952412 -0.930868
C -3.554443 -1.409826 -0.609112
C 1.656978 -2.208610 -0.027279
C 4.227983 -1.684547 -1.176196
C 1.303792 2.722155 0.987556
C -2.389090 -1.374900 -1.441751
C 3.999174 2.971461 0.120100
C 2.445095 -3.245922 -0.525436
C 3.713528 -2.986379 -1.118036
C 1.958750 3.950071 1.061445
C 3.324877 4.074101 0.636278
C -3.267107 0.602040 3.208574
C -1.363763 -0.931685 3.551736
C -5.539238 0.989661 -2.700692
C 6.049348 -0.344721 -2.295581
H -0.172309 0.658225 1.799820
H -4.340167 -1.015563 1.371495
H -0.273641 -0.923760 -1.577866
H 0.685708 -2.429685 0.420870
H 0.250680 2.660095 1.284397
H -2.463185 -1.688990 -2.490792
H 5.033920 3.037765 -0.230046
H 2.086982 -4.279349 -0.468231
H 4.321560 -3.797029 -1.530033
H -4.804524 -2.219026 -2.009001
H 1.426427 4.832064 1.433595
H 3.826912 5.045147 0.706289
H -4.007025 -0.148621 3.565686
H -3.765686 1.251430 2.471180
H -2.957839 1.213949 4.074538
H -2.013121 -1.782495 3.854981
H -1.074568 -0.371763 4.458801
H -0.451102 -1.341097 3.087877
H -5.691364 0.436901 -3.637934
H -6.170412 1.887223 -2.638528
H -4.483005 1.210551 -2.492956
H 6.370023 0.337440 -1.495362
H 5.303300 0.170438 -2.925089
H 6.902786 -0.683652 -2.905115


