%chk=000089617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089617

0 1
 S    1.482900     -0.1749000      0.4424000    
 O   -3.444900       1.631700      -1.360900    
 O   -4.232700      -1.464100      0.2353000    
 O   -6.009300      -2.076000      -1.092700    
 N   -4.899600       1.046300      0.3520000    
 N    4.269700      -1.992300      0.1901000    
 N    3.483100       1.584100     -0.1515000    
 N    6.345500      -1.323500     -0.2705000    
 N    5.836600       1.042700     -0.4984000    
 C   -1.558000       2.631300      0.6105000    
 C  -0.8447000       1.275100      0.6626000    
 C   -3.059900       2.509200      0.8635000    
 C   0.6458000       1.434500      0.3751000    
 C   -3.792700       1.687800     -0.1845000    
 C    3.172700      0.2885000      7.8500003E-02
 C    4.194300     -0.6391000      2.1100000E-02
 C   -5.785900      0.2215000     -0.4362000    
 C    5.495300     -0.2472000     -0.2639000    
 C   -5.369200      -1.230000     -0.4767000    
 C    5.577500      -2.355800      5.7999999E-03
 C    4.777500       1.877200     -0.4219000    
 C   -3.773600      -2.820100      0.2454000    
 C   -2.510300      -2.906600       1.075100    
 H   -1.387800       3.096000     -0.3685000    
 H   -1.125200       3.301500       1.362800    
 H   -1.287800      0.5903000     -7.0100002E-02
 H  -0.9935000      0.8308000       1.654900    
 H   -3.221600       2.078500       1.858800    
 H   -3.511900       3.508100      0.8642000    
 H    1.096500       2.105100       1.114600    
 H   0.7870000       1.871000     -0.6197000    
 H   -5.106800       1.146000       1.341300    
 H   -6.777900      0.2860000      1.9800000E-02
 H   -5.816200      0.6026000      -1.461300    
 H    3.503100      -2.614200      0.4106000    
 H    5.900700      -3.383900      8.6800002E-02
 H    4.991400       2.925300     -0.6013000    
 H   -3.565100      -3.142300     -0.7808000    
 H   -4.546500      -3.464000      0.6796000    
 H   -1.734000      -2.253000      0.6634000    
 H   -2.698200      -2.569100       2.099600    
 H   -2.130400      -3.931500       1.104400    


%chk=000089617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089617

0 1
S 1.251871 -0.155722 0.629951
O -3.981145 2.317206 -1.252868
O -3.863398 -1.513618 0.161893
O -5.684963 -2.213011 -1.115652
N -4.804806 1.005470 0.481656
N 3.988049 -2.163722 0.449832
N 3.303598 1.443702 -0.315829
N 6.107099 -1.616755 -0.235145
N 5.629513 0.773117 -0.736683
C -1.709473 2.860095 0.654230
C -1.032279 1.474329 0.792947
C -3.214387 2.826084 1.021929
C 0.445803 1.551562 0.383991
C -4.020486 2.039244 -0.015387
C 2.954928 0.199596 0.097910
C 3.942928 -0.811301 0.108545
C -5.562897 0.134363 -0.408046
C 5.276326 -0.481202 -0.318978
C -5.069254 -1.311528 -0.504505
C 5.303989 -2.588940 0.223952
C 4.607413 1.665860 -0.708037
C -3.295168 -2.898761 0.068575
C -1.990869 -2.897648 0.857706
H -1.620102 3.220849 -0.387827
H -1.194695 3.594257 1.304003
H -1.563089 0.737858 0.159484
H -1.118488 1.125540 1.841864
H -3.355227 2.417156 2.041719
H -3.606577 3.860837 1.024199
H 1.021664 2.262443 0.997458
H 0.576721 1.816210 -0.676808
H -4.722885 0.751041 1.466157
H -6.633494 0.094828 -0.133732
H -5.499385 0.581790 -1.418933
H 3.215286 -2.731394 0.796077
H 5.619965 -3.613459 0.410223
H 4.834201 2.685165 -1.032566
H -3.145671 -3.133632 -1.000374
H -4.041330 -3.604848 0.475450
H -1.273679 -2.169501 0.441240
H -2.168009 -2.647812 1.918076
H -1.531698 -3.902246 0.811601


