%chk=000121354.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121354

0 1
 S    2.793400      4.6700001E-02  0.7615000    
 O   -2.523100     -0.3280000      0.3411000    
 O    3.715700      -1.311200      -1.313800    
 O   -3.577600      -1.572500      -1.283300    
 N    5.249500     -0.3049000      8.5900001E-02
 N   -4.776600     -0.4041000      0.2929000    
 C  -7.5599998E-02 -8.2699999E-02  0.6093000    
 C  -0.2362000       1.468000      0.6304000    
 C    1.262800     -0.5511000     -3.0999999E-02
 C   -1.256300     -0.7044000     -0.1870000    
 C  -0.1598000     -0.5854000       2.070500    
 C  -0.2628000       2.153600     -0.7407000    
 C  -0.5208000       3.647600     -0.6030000    
 C    3.985200     -0.6368000     -0.3282000    
 C   -3.617700     -0.8346000     -0.3045000    
 H   0.5653000       1.916000       1.231500    
 H   -1.165500       1.722200       1.158800    
 H    1.286600     -0.2459000      -1.083200    
 H    1.299400      -1.647400     -2.0700000E-02
 H   -1.201300     -0.4243000      -1.245500    
 H   -1.177200      -1.799100     -0.1404000    
 H   -1.128000     -0.3435000       2.523200    
 H  -3.5799999E-02  -1.673200       2.119600    
 H   0.6076000     -0.1306000       2.705300    
 H   0.6900000       2.004500      -1.258800    
 H   -1.051300       1.735600      -1.373200    
 H   -1.487500       3.837100     -0.1256000    
 H  -0.5304000       4.122600      -1.589100    
 H   0.2596000       4.126400     -3.1000001E-03
 H    5.403900      0.2595000      0.9146000    
 H    6.070400     -0.6134000     -0.4240000    
 H   -5.686900     -0.6839000     -5.6699999E-02
 H   -4.758000      0.2072000       1.102200    


%chk=000121354-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121354

0 1
S 2.581315 -0.653098 1.034339
O -2.651801 -0.151918 -0.181976
O 3.280780 0.372871 -1.457708
O -3.507442 -2.258499 0.482883
N 4.856706 0.580160 0.248227
N -4.778895 -0.288801 0.594167
C -0.239450 -0.291066 0.471283
C -0.107456 1.262258 0.467484
C 1.051189 -1.002953 -0.024405
C -1.343864 -0.767065 -0.515048
C -0.591335 -0.767073 1.904748
C 0.131922 1.949590 -0.897672
C 0.318765 3.474971 -0.735555
C 3.639807 0.193110 -0.267291
C -3.643662 -1.020803 0.320528
H 0.720641 1.529911 1.155164
H -1.034740 1.674129 0.912909
H 1.346008 -0.692010 -1.044129
H 0.925116 -2.099074 -0.001186
H -1.127920 -0.445817 -1.547803
H -1.458624 -1.866487 -0.479082
H -1.536607 -0.308276 2.245058
H -0.710326 -1.865378 1.949311
H 0.203343 -0.470419 2.613683
H 1.027845 1.528498 -1.392179
H -0.729431 1.763488 -1.568821
H -0.567446 3.937493 -0.260238
H 0.476273 3.967734 -1.712533
H 1.195831 3.698913 -0.099040
H 5.106703 0.411169 1.221160
H 5.524443 1.034916 -0.373398
H -5.596164 -0.773144 0.953419
H -4.800526 0.712670 0.418698


