%chk=000022111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022111

0 1
 S    8.711900       1.782500      0.8725000    
 S   -8.827700       1.706400     -0.9034000    
 O    9.493800       2.089300     -0.5268000    
 O   -9.617200       2.043600      0.4845000    
 O    8.433200       3.062100       1.500200    
 O    9.431800      0.7403000       1.580800    
 O   -8.549700       2.971500      -1.559800    
 O   -9.541400      0.6456000      -1.590300    
 O  -8.1299998E-02   1.768700      8.9999998E-04
 O    2.251600      -2.293100     -0.4243000    
 N    3.356500     -0.3176000     -0.6808000    
 N   -3.474000     -0.3411000      0.7243000    
 N    2.284100      0.4692000     -0.4694000    
 N   -2.413400      0.4470000      0.4967000    
 C    7.065200     -0.1943000     -0.1842000    
 C   -7.180600     -0.2403000      0.2074000    
 C    5.787900     -0.6826000     -0.5492000    
 C   -5.903900     -0.7162000      0.5898000    
 C    7.174200       1.084900      0.3852000    
 C   -7.290500       1.024900     -0.3924000    
 C    4.645600      0.1185000     -0.3371000    
 C   -4.774500      8.6900003E-02  0.3611000    
 C    6.040400       1.871400      0.5913000    
 C   -6.157900       1.809600     -0.6118000    
 C    4.784400       1.391000      0.2327000    
 C   -4.902300       1.341400     -0.2360000    
 C    8.195500     -0.9996000     -0.3991000    
 C   -8.309700      -1.043700      0.4360000    
 C    5.678600      -1.961900      -1.118300    
 C   -5.793800      -1.981300       1.189500    
 C    8.068400      -2.268000     -0.9661000    
 C   -8.181800      -2.297900       1.033300    
 C    6.812400      -2.748200      -1.325100    
 C   -6.926200      -2.765900       1.409400    
 C    1.201300     -0.1929000     -0.2370000    
 C   -1.329800     -0.2177000      0.2836000    
 C  -7.0100002E-02  0.5516000      1.4800000E-02
 C    1.211900      -1.689700     -0.2195000    
 C   -1.222900      -1.696800      0.2813000    
 C  -7.9999998E-02  -2.357400      5.5000000E-02
 H    6.093500       2.865000       1.026000    
 H   -6.211700       2.792400      -1.070000    
 H    3.929600       2.038600      0.4115000    
 H   -4.048200       1.986000     -0.4255000    
 H    9.210200     -0.6824000     -0.1943000    
 H   -9.324300     -0.7342000      0.2189000    
 H    4.731100      -2.395300      -1.419600    
 H   -4.842700      -2.405200       1.496700    
 H    8.951100      -2.877300      -1.137900    
 H   -9.063600      -2.905700       1.214800    
 H    6.715200      -3.735000      -1.768600    
 H   -6.828100      -3.742500       1.874800    
 H    3.266100      -1.115900      -1.294300    
 H   -3.390400      -1.109700       1.376100    
 H   -2.103900      -2.306000      0.4481000    
 H    9.049500       2.732100      -1.128200    
 H   -9.177800       2.701800       1.072700    
 H  -6.9600001E-02  -3.442700      5.9000000E-02


%chk=000022111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022111

0 1
S 8.535162 2.665726 -0.337050
S -8.608530 2.619296 0.250069
O 9.006212 2.249895 -2.089920
O -9.065270 2.294586 2.026356
O 8.018578 4.196740 -0.268126
O 9.759730 2.202824 0.617634
O -8.061596 4.133718 0.101117
O -9.855057 2.134839 -0.665002
O -0.122563 1.080922 -0.057975
O 2.387160 -3.067938 0.006718
N 3.531465 -0.767181 -0.094290
N -3.668264 -0.918278 0.123231
N 2.333726 -0.163750 -0.081681
N -2.463799 -0.318346 0.069056
C 7.204943 0.095990 -0.210430
C -7.334622 0.020338 0.235441
C 5.981873 -0.690551 -0.151460
C -6.130473 -0.795927 0.202307
C 7.049593 1.518135 -0.262627
C -7.150603 1.440046 0.211650
C 4.710753 0.004329 -0.151735
C -4.843439 -0.131603 0.151841
C 5.820752 2.173226 -0.268652
C -5.906947 2.063498 0.167862
C 4.634147 1.404865 -0.205545
C -4.737451 1.267521 0.130229
C 8.470902 -0.577358 -0.212943
C -8.615441 -0.622412 0.288811
C 6.087455 -2.119470 -0.101531
C -6.277494 -2.221943 0.227853
C 8.531230 -1.970045 -0.163724
C -8.712753 -2.013480 0.313197
C 7.334775 -2.746330 -0.107887
C -7.537005 -2.821047 0.282411
C 1.223311 -0.939929 -0.027676
C -1.325771 -1.031454 0.049985
C -0.072760 -0.180922 -0.015837
C 1.259711 -2.414205 0.016780
C -1.220541 -2.481324 0.088187
C -0.010134 -3.137033 0.073023
H 5.779929 3.265890 -0.314559
H -5.839136 3.155785 0.156672
H 3.652156 1.883138 -0.203303
H -3.746109 1.723394 0.090737
H 9.391838 0.010364 -0.240900
H -9.521024 -0.010640 0.297399
H 5.192257 -2.748367 -0.057487
H -5.402005 -2.882005 0.203987
H 9.503912 -2.472362 -0.165983
H -9.697328 -2.489922 0.353914
H 7.395286 -3.838718 -0.069273
H -7.624159 -3.912172 0.300536
H 3.521256 -1.820790 -0.060899
H -3.769554 -1.940987 0.147979
H -2.128003 -3.099579 0.132975
H 9.828427 2.778227 -2.309683
H -9.868194 2.856226 2.234542
H 0.055483 -4.229249 0.103577


