%chk=000065927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065927

0 1
 S    5.392700      -1.629800       1.637600    
 O   0.7122000      -2.351500      0.4048000    
 O   -5.441000      0.5150000      -2.469800    
 N    3.857700      0.3830000      0.9261000    
 N  -0.5500000     -0.4423000     -4.7300000E-02
 N    7.972300       1.998900     -0.5411000    
 C    5.244500      0.1774000       1.314400    
 C    3.040700     -0.7133000      0.8527000    
 C    3.662700      -2.018900       1.159200    
 C    1.788000     -0.2728000      0.4969000    
 C    3.166300       1.523300      0.6685000    
 C    6.161900      0.5876000      0.2182000    
 C    1.868700       1.144200      0.3799000    
 C   0.6407000      -1.110300      0.3023000    
 C    6.093800     -1.1200000E-02  -1.034900    
 C    7.110500       1.578900      0.4121000    
 C    6.963700      0.3938000      -2.041300    
 C   -1.826300     -0.9871000     -0.3366000    
 C    7.876100       1.393900      -1.746300    
 C   -2.867300     -0.1347000     -0.6603000    
 C   -2.001100      -2.359200     -0.2881000    
 C   -4.123000     -0.6715000     -0.9448000    
 C   -4.317600      -2.052100     -0.9009000    
 C   -3.256700      -2.895900     -0.5727000    
 C   -5.229600      0.2075000      -1.287200    
 C   -6.150900      0.7744000     -0.2564000    
 C   -5.939500      0.4505000       1.063500    
 C   -7.172500       1.597500     -0.6689000    
 C   -6.799300      0.9797000       2.025900    
 C   -8.032100       2.127000      0.2936000    
 C   -7.845500       1.817900       1.641100    
 H    5.409800      0.7272000       2.247000    
 H    3.162900      -2.520500       1.992000    
 H    3.669200      -2.676100      0.2855000    
 H    3.634200       2.497600      0.7015000    
 H    1.082900       1.840800      0.1235000    
 H    5.368800     -0.7879000      -1.261100    
 H    7.213000       2.084900       1.367100    
 H  -0.5206000      0.5713000     -0.1115000    
 H    6.927000     -5.7100002E-02  -3.026400    
 H    8.575900       1.746200      -2.496800    
 H   -2.715100      0.9413000     -0.6946000    
 H   -1.236400      -3.080300     -4.3699998E-02
 H   -5.291700      -2.481500      -1.121000    
 H   -3.409900      -3.970700     -0.5389000    
 H   -5.137800     -0.1969000       1.401000    
 H   -7.337700       1.852200      -1.711000    
 H   -6.654400      0.7396000       3.075200    
 H   -8.847000       2.779800     -5.7000001E-03
 H   -8.514800       2.230100       2.390400    


%chk=000065927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065927

0 1
S 5.678495 -2.114399 0.922305
O 0.773281 -2.248900 0.728212
O -4.656090 2.066888 -1.108724
N 4.268237 0.160387 0.686567
N -0.371642 -0.239415 0.284548
N 8.751818 1.516062 -0.586725
C 5.684114 -0.180118 0.925929
C 3.294244 -0.824564 0.751552
C 3.769469 -2.217269 1.029177
C 2.043797 -0.213000 0.538613
C 3.677560 1.407656 0.441536
C 6.630869 0.373997 -0.113437
C 2.300076 1.203085 0.344128
C 0.786103 -0.987898 0.528792
C 6.366112 0.262041 -1.501789
C 7.832075 1.008627 0.286609
C 7.299177 0.787326 -2.417241
C -1.716784 -0.684119 0.198464
C 8.475201 1.399969 -1.918224
C -2.709535 0.292412 -0.057639
C -2.099226 -2.048320 0.347419
C -4.076113 -0.061459 -0.151941
C -4.454052 -1.424704 -0.012427
C -3.460757 -2.397669 0.229929
C -5.054888 1.031527 -0.484462
C -6.499092 0.914131 -0.084092
C -6.919093 0.212737 1.078929
C -7.466194 1.606242 -0.862827
C -8.282647 0.196565 1.446052
C -8.828156 1.574212 -0.505109
C -9.240677 0.867550 0.651205
H 5.986375 0.148053 1.936306
H 3.475471 -2.570595 2.030133
H 3.410615 -2.938100 0.279675
H 4.272916 2.311965 0.344419
H 1.575592 1.994079 0.147115
H 5.450460 -0.230112 -1.846689
H 8.076672 1.117802 1.351366
H -0.236540 0.763271 0.139536
H 7.130727 0.722792 -3.496533
H 9.227021 1.813502 -2.599817
H -2.443541 1.347006 -0.204528
H -1.330762 -2.798493 0.541513
H -5.500257 -1.722225 -0.129589
H -3.746518 -3.451016 0.324328
H -6.179215 -0.287904 1.711790
H -7.123000 2.166294 -1.739007
H -8.596332 -0.333278 2.352165
H -9.567758 2.099889 -1.118809
H -10.299206 0.847391 0.934002


