%chk=000168962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168962

0 1
 S    6.174300     -3.9999999E-04  0.1999000    
 S   -6.173500     -3.0000001E-04 -0.2005000    
 O    6.801600     -2.6000000E-03  -1.309900    
 O   -6.801400     -2.7000001E-03   1.309000    
 O    6.548500       1.265600      0.8132000    
 O    6.520100      -1.262700      0.8345000    
 O   -6.547600       1.265700     -0.8139000    
 O   -6.519100      -1.262700     -0.8353000    
 N   0.2884000      3.0000001E-04 -0.5559000    
 N  -0.2879000      1.9999999E-04  0.5573000    
 C    4.442400     -3.9999999E-04 -2.3200000E-02
 C   -4.441700     -5.0000002E-04  2.3100000E-02
 C    1.675200      3.9999999E-04 -0.3767000    
 C   -1.681700      3.9999999E-04  0.3768000    
 C    3.750100      -1.208200     -0.1106000    
 C   -3.749500      -1.208200      0.1108000    
 C    3.751200       1.207700     -0.1125000    
 C   -3.750500       1.207700      0.1128000    
 C    2.366400      -1.207800     -0.2875000    
 C   -2.365900      -1.207800      0.2881000    
 C    2.367600       1.208200     -0.2893000    
 C   -2.367000       1.208200      0.2899000    
 H    4.267700      -2.161500     -5.1600002E-02
 H   -4.267000      -2.161500      5.1500000E-02
 H    4.270200       2.160300     -5.4299999E-02
 H   -4.269700       2.160200      5.4400001E-02
 H    1.836000      -2.154000     -0.3572000    
 H   -1.834300      -2.153100      0.3582000    
 H    1.837900       2.154700     -0.3604000    
 H   -1.836300       2.153800      0.3613000    
 H    6.575700      0.7821000      -1.862600    
 H   -6.575600      0.7820000       1.861900    


%chk=000168962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168962

0 1
S 6.404380 0.220591 -0.162360
S -6.404019 0.221850 0.161181
O 6.579236 -1.627330 -0.110013
O -6.579216 -1.626234 0.116302
O 7.017505 0.764499 -1.556379
O 6.897058 0.828799 1.252952
O -7.017284 0.771600 1.552851
O -6.896295 0.824360 -1.256712
N 0.345149 0.225577 -0.554456
N -0.344975 0.226924 0.554804
C 4.530833 0.208036 -0.245231
C -4.530509 0.209259 0.244547
C 1.767312 0.222030 -0.365823
C -1.767035 0.223160 0.365830
C 3.818304 0.208797 0.969022
C -3.817659 0.204885 -0.969514
C 3.934311 0.217258 -1.515446
C -3.934326 0.223450 1.514883
C 2.414349 0.218021 0.903699
C -2.413727 0.214109 -0.903849
C 2.525620 0.227191 -1.566223
C -2.525655 0.233203 1.566010
H 4.350693 0.216385 1.925202
H -4.349800 0.208585 -1.925855
H 4.546678 0.230558 -2.421904
H -4.546955 0.240551 2.421101
H 1.803263 0.218568 1.810398
H -1.802382 0.210862 -1.810378
H 1.992552 0.234769 -2.521495
H -1.992817 0.244378 2.521377
H 7.555675 -1.841298 -0.045699
H -7.555666 -1.840293 0.052481


