%chk=000041954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041954

0 1
 S    4.794900     -0.1851000      0.3786000    
 O   -5.543000     -1.1000000E-02   1.307200    
 O   -1.408300       1.450300      -1.469300    
 O    5.294600      -1.378000     -0.2903000    
 O    5.459400       1.093700      0.1671000    
 N   -3.278200     -0.2732000     -0.3967000    
 C   -3.252500      0.5973000      0.7871000    
 C   -4.211700      -1.387500     -0.1821000    
 C   -1.938800     -0.7702000     -0.7044000    
 C   -4.662300       1.093200       1.096100    
 C   -5.598800     -0.8443000      0.1488000    
 C   -1.009800      0.3955000     -0.9801000    
 C   0.4368000      0.2509000     -0.6417000    
 C    3.102800     -1.5699999E-02 -1.6600000E-02
 C    1.005200      -1.000800     -0.7000000    
 C    1.145300       1.375000     -0.2840000    
 C    2.356800      -1.136000     -0.3829000    
 C    2.497100       1.239800      3.3000000E-02
 C    4.810700     -0.4936000       2.130100    
 H   -2.621400       1.480400      0.6522000    
 H   -2.868400      4.2800002E-02   1.654000    
 H   -3.863300      -2.023200      0.6424000    
 H   -4.278100      -2.006800      -1.083800    
 H   -1.558500      -1.371700      0.1296000    
 H   -1.960700      -1.389000      -1.609000    
 H   -4.654600       1.690600       2.013400    
 H   -5.054500       1.726500      0.2910000    
 H   -6.022400     -0.2779000     -0.6897000    
 H   -6.280900      -1.672200      0.3672000    
 H   0.4515000      -1.884800     -0.9987000    
 H   0.6843000       2.356700     -0.2346000    
 H    2.807000      -2.123800     -0.4254000    
 H    3.057400       2.124200      0.3231000    
 H    4.363200      0.3584000       2.645200    
 H    4.251700      -1.408700       2.334500    
 H    5.849900     -0.6146000       2.443500    


%chk=000041954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041954

0 1
S 5.096021 -0.445363 -0.081175
O -6.231465 -0.175400 0.541645
O -1.403155 1.833686 -0.099474
O 5.302132 -1.992206 -0.576340
O 5.781418 0.830721 -0.842354
N -3.404103 -0.181986 -0.120596
C -3.911319 0.551883 1.069344
C -4.273115 -1.346048 -0.434933
C -1.990961 -0.549429 -0.035037
C -5.367124 0.982012 0.834384
C -5.721716 -0.874171 -0.647862
C -1.011636 0.634784 -0.068990
C 0.468525 0.321140 -0.048648
C 3.220400 -0.126890 -0.029031
C 0.976190 -1.004971 0.033306
C 1.373877 1.414306 -0.139478
C 2.368359 -1.240044 0.039692
C 2.766702 1.198480 -0.136200
C 5.651650 -0.367232 1.751495
H -3.289712 1.449271 1.223739
H -3.858881 -0.088702 1.987250
H -4.258831 -2.106344 0.387549
H -3.908105 -1.832552 -1.360151
H -1.750256 -1.148587 0.887486
H -1.744886 -1.207321 -0.893547
H -5.792660 1.446508 1.738963
H -5.405531 1.701827 -0.010719
H -5.764114 -0.198487 -1.529420
H -6.397937 -1.731218 -0.803614
H 0.298454 -1.862179 0.089385
H 0.957306 2.423593 -0.219728
H 2.786315 -2.252240 0.065402
H 3.481178 2.021461 -0.245939
H 5.413201 0.640116 2.119478
H 5.111321 -1.159583 2.287372
H 6.734857 -0.551632 1.721542


