%chk=000097034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097034

0 1
 S   -1.306800      -1.153000     -0.3833000    
 S    2.396900     -0.2517000       1.418300    
 O   -1.400400      -2.466100      0.2253000    
 O  -0.9885000      -1.016300      -1.792300    
 N  -0.2483000     -0.1639000      0.5530000    
 N    2.981300     -0.4234000      -1.070400    
 N    1.600500     -0.3487000      -1.015400    
 C    5.638300      0.9434000      0.4530000    
 C    4.967500     -0.4440000      0.4165000    
 C    5.487300       1.693800     -0.8729000    
 C    7.123900      0.7911000      0.7902000    
 C    3.487100     -0.3816000      0.1225000    
 C   -2.853100     -0.3319000     -0.1263000    
 C    1.166300     -0.2559000      0.2233000    
 C   -3.234800      0.6743000     -0.9953000    
 C   -3.649300     -0.7132000      0.9385000    
 C   -5.270700      0.9508000      0.2755000    
 C   -4.453900       1.321300     -0.7927000    
 C   -4.868500     -6.6399999E-02   1.141100    
 C   -6.574700       1.641400      0.4915000    
 H    5.171100       1.548500       1.240700    
 H    5.138000     -0.9646000       1.367800    
 H    5.441900      -1.062600     -0.3570000    
 H    6.038400       2.640200     -0.8464000    
 H    5.873500       1.103000      -1.710500    
 H    4.440700       1.937900      -1.079300    
 H    7.253700      0.2874000       1.753900    
 H    7.647400      0.2048000      2.7200000E-02
 H    7.610000       1.770000      0.8583000    
 H  -0.4100000     -0.1685000       1.568800    
 H   -2.609700      0.9821000      -1.827800    
 H   -3.350100      -1.497600       1.626700    
 H   -4.756500       2.112100      -1.474000    
 H   -5.496400     -0.3642000       1.976600    
 H   -6.835500       1.669500       1.555000    
 H   -6.534500       2.679600      0.1445000    
 H   -7.369900       1.120700     -5.1100001E-02


%chk=000097034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097034

0 1
S -1.543997 -1.922576 1.395270
S 2.778736 -0.882822 1.600274
O -2.124708 -2.492315 2.803945
O -1.017588 -2.913326 0.227571
N -0.044347 -0.792124 2.011001
N 2.034415 -0.054958 -0.830901
N 0.837712 -0.184583 -0.124998
C 5.380003 0.891852 0.105667
C 4.535238 -0.194569 -0.633240
C 4.765474 2.297899 -0.073638
C 6.838916 0.847631 -0.403239
C 3.130554 -0.331486 -0.128240
C -2.748379 -0.661496 0.698106
C 1.005365 -0.596668 1.143278
C -2.451994 -0.051530 -0.531270
C -3.910770 -0.412690 1.444035
C -4.608066 1.141507 -0.341438
C -3.403638 0.857690 -1.040795
C -4.842887 0.500319 0.903708
C -5.632689 2.095275 -0.926315
H 5.380664 0.644154 1.187986
H 5.056809 -1.168863 -0.557181
H 4.467119 0.063101 -1.706686
H 5.359877 3.055631 0.468799
H 4.746306 2.581130 -1.143380
H 3.728034 2.342082 0.303580
H 7.295985 -0.147021 -0.244253
H 6.884502 1.074744 -1.485662
H 7.459826 1.595527 0.122726
H 0.164391 -1.111978 2.968701
H -1.505073 -0.247932 -1.044245
H -4.079693 -0.917160 2.400569
H -3.200279 1.357690 -1.994366
H -5.762868 0.714743 1.459051
H -6.254943 2.557006 -0.140737
H -5.151332 2.903288 -1.504052
H -6.314478 1.561125 -1.616130


