%chk=000041567.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041567

0 1
 S    1.220100       1.039100     -0.4913000    
 O    4.464100      -1.039900      6.3000001E-02
 O    4.106200       1.203800      0.1179000    
 N   -1.400200       1.362900     -9.2799999E-02
 N  -0.5913000     -0.9036000     -0.2184000    
 C   -2.642100      0.8700000      9.4700001E-02
 C   -1.857900      -1.326900     -2.7000001E-02
 C   -2.933500     -0.4780000      0.1373000    
 C  -0.4364000      0.4339000     -0.2400000    
 C   -3.740400       1.865500      0.2623000    
 C   -2.074400      -2.802600      3.5999999E-03
 C    2.214300     -0.2834000      0.2553000    
 C    3.671500      5.9200000E-02  0.1353000    
 H   -3.940800     -0.8460000      0.2896000    
 H   -4.222600       1.740300       1.237100    
 H   -3.355800       2.889100      0.2052000    
 H   -4.489700       1.742300     -0.5262000    
 H   -1.131800      -3.341400     -0.1389000    
 H   -2.493900      -3.106100      0.9681000    
 H   -2.759400      -3.103700     -0.7954000    
 H    2.028600      -1.217200     -0.2841000    
 H    1.965100     -0.4078000       1.312800    
 H    5.413400     -0.8026000     -8.1000002E-03


%chk=000041567-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041567

0 1
S 1.221632 1.268225 0.081255
O 4.475674 -1.147904 0.032133
O 4.241279 1.165783 0.036504
N -1.450759 1.431454 0.110610
N -0.556910 -0.840761 0.100862
C -2.724537 0.930883 0.124178
C -1.835814 -1.341974 0.114443
C -2.951937 -0.471548 0.126206
C -0.438434 0.516694 0.099502
C -3.858336 1.929248 0.136695
C -1.986468 -2.845517 0.116712
C 2.244812 -0.312967 0.066985
C 3.717753 0.033723 0.044283
H -3.970343 -0.870580 0.136866
H -4.492675 1.797649 1.032785
H -3.452581 2.952026 0.134056
H -4.509865 1.800066 -0.747354
H -0.994015 -3.321343 0.104080
H -2.534437 -3.187741 1.014006
H -2.557628 -3.188469 -0.765703
H 1.977565 -0.918475 -0.813337
H 2.005368 -0.916864 0.956476
H 5.443755 -0.914708 0.017759


