%chk=000062155.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062155

0 1
 S  -9.9999997E-05 -6.0000003E-04  -1.334200    
 S    6.409700      0.6845000      0.1866000    
 S   -6.409800     -0.6840000      0.1876000    
 O    2.658200     -0.2501000     -0.3342000    
 O   -2.658400      0.2502000     -0.3351000    
 O    2.331100      -2.151700      0.9062000    
 O   -2.330400       2.151200      0.9063000    
 N   0.5692000      -1.239500     -0.2961000    
 N  -0.5690000       1.239000     -0.2968000    
 N    3.961400     -0.3691000      0.1631000    
 N   -3.961400      0.3696000      0.1627000    
 C  -0.4041000      -2.244700      0.1045000    
 C   0.4047000       2.243600      0.1042000    
 C    1.893300      -1.281900      0.1535000    
 C   -1.893000       1.281400      0.1531000    
 C    4.713300      0.5897000     -0.2771000    
 C   -4.713900     -0.5888000     -0.2777000    
 C    4.250700       1.685900      -1.203400    
 C   -4.251900      -1.684600      -1.204800    
 C    6.579400     -0.7540000       1.265000    
 C   -6.578900      0.7541000       1.266600    
 H   -1.132500      -1.788800      0.7814000    
 H   8.2599998E-02  -3.072000      0.6284000    
 H  -0.9109000      -2.643000     -0.7799000    
 H    1.131800       1.787600      0.7824000    
 H  -8.2000002E-02   3.071700      0.6269000    
 H   0.9128000       2.640800     -0.7798000    
 H    3.490500       2.287200     -0.6965000    
 H    3.813700       1.245000      -2.104400    
 H    5.067500       2.346400      -1.506800    
 H   -3.491700      -2.286400     -0.6986000    
 H   -5.069000      -2.344700      -1.508200    
 H   -3.815300      -1.243300      -2.105800    
 H    5.913300     -0.6700000       2.127900    
 H    6.356800      -1.674500      0.7183000    
 H    7.608900     -0.8101000       1.628900    
 H   -5.912000      0.6698000       2.129100    
 H   -6.356700       1.674800      0.7202000    
 H   -7.608100      0.8099000       1.631300    


%chk=000062155-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062155

0 1
S -0.000212 -0.001240 -1.254195
S 6.562024 0.684493 -0.065205
S -6.563311 -0.681007 -0.065414
O 2.683114 -0.299940 -0.262865
O -2.683227 0.299056 -0.262048
O 2.361754 -2.253480 1.056465
O -2.359988 2.251836 1.057924
N 0.597807 -1.285924 -0.147224
N -0.597074 1.283352 -0.146500
N 4.116272 -0.385509 0.177825
N -4.116362 0.386057 0.178445
C -0.384282 -2.261512 0.379083
C 0.385841 2.257996 0.380031
C 1.927032 -1.365813 0.297312
C -1.926102 1.363988 0.298508
C 4.786089 0.562786 -0.440612
C -4.787175 -0.561221 -0.440477
C 4.266425 1.576092 -1.430659
C -4.268539 -1.574703 -1.430881
C 6.780196 -0.720498 1.171544
C -6.780019 0.723671 1.171949
H -1.088266 -1.771709 1.074807
H 0.166481 -3.050708 0.913677
H -0.951018 -2.704956 -0.456620
H 1.088660 1.767763 1.076643
H -0.164324 3.048218 0.913726
H 0.953793 2.700159 -0.455511
H 3.524891 2.234633 -0.943453
H 3.747061 1.061906 -2.258284
H 5.081104 2.195012 -1.838959
H -3.527885 -2.234343 -0.943827
H -5.083880 -2.192470 -1.839605
H -3.748406 -1.060769 -2.258179
H 6.144984 -0.540841 2.050075
H 6.498381 -1.672448 0.700521
H 7.846873 -0.709989 1.442324
H -6.145154 0.542863 2.050494
H -6.497011 1.675505 0.701406
H -7.846749 0.714294 1.442560


