%chk=000060831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060831

1 1
 S    2.715900      -2.729700     -0.8026000    
 S    2.650900       2.090800       1.203200    
 O   -5.271900      0.5166000       1.536700    
 O  -0.1982000      0.4894000     -0.4837000    
 O   0.5920000     -0.6032000       1.380600    
 O    1.835600     -0.1981000      -1.841000    
 N   -4.106700     -0.5621000     -0.7905000    
 C   -3.948600      0.9767000     -0.5759000    
 C   -3.500900      -1.021300      0.5738000    
 C   -4.235900       1.256500      0.8923000    
 C   -3.951100     -1.6500000E-02   1.624800    
 C   -2.462100       1.325900     -0.8238000    
 C   -1.962800     -0.9021000      0.4583000    
 C   -1.498800      0.5303000      9.4099998E-02
 C   -3.442400      -1.134600      -2.045500    
 C   -5.583100     -0.9747000     -0.9330000    
 C   0.7752000     -0.1138000      0.2720000    
 C    2.124400     -5.8300000E-02 -0.4455000    
 C    2.971000      -1.261000     -1.3500000E-02
 C    2.834900       1.286700     -0.2689000    
 C    3.914200      -1.277000      0.9451000    
 C    3.606100       1.915000      -1.175300    
 C    4.482000      -2.579000       1.057000    
 C    4.091000       3.145200     -0.6446000    
 C    3.921600      -3.466400      0.1648000    
 C    3.647700       3.364600      0.6410000    
 H   -4.625800       1.495900      -1.260800    
 H   -3.833400      -2.044000      0.7762000    
 H   -3.935500       2.212300       1.287900    
 H   -3.437300     -1.7500000E-02   2.571600    
 H   -2.195300       1.191500      -1.878400    
 H   -2.301100       2.396900     -0.6397000    
 H   -1.563900      -1.190800       1.437300    
 H   -1.563700      -1.644000     -0.2430000    
 H   -1.416600       1.105100       1.027900    
 H   -2.375600     -0.9181000      -2.074900    
 H   -3.587700      -2.219300      -2.039300    
 H   -3.925100     -0.6842000      -2.918100    
 H   -5.624800      -2.067400     -0.9771000    
 H   -6.182900     -0.6262000     -9.6400000E-02
 H   -5.967200     -0.5373000      -1.859700    
 H    1.273000      0.5475000      -2.113800    
 H    4.219500     -0.4435000       1.561600    
 H    3.837400       1.547900      -2.166700    
 H    5.261300      -2.851200       1.757000    
 H    4.733300       3.833700      -1.178200    
 H    4.162300      -4.512100      3.5100002E-02
 H    3.861600       4.212000       1.277100    


%chk=000060831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060831

1 1
S 1.312936 -1.909902 -1.381388
S 3.319511 2.525771 1.414813
O -5.650592 -0.056027 1.272815
O -0.439840 0.936071 -0.552746
O 0.658573 1.277148 1.468818
O 1.741146 0.984030 -2.037272
N -3.819164 -1.039654 -0.570975
C -4.120540 0.489144 -0.749303
C -3.283406 -1.050509 0.905120
C -4.705780 0.909907 0.605717
C -4.186401 -0.045527 1.631838
C -2.784028 1.241826 -0.922138
C -1.853454 -0.470555 0.915488
C -1.735202 0.917214 0.188962
C -2.804006 -1.575416 -1.583901
C -5.077495 -1.909903 -0.748067
C 0.713498 1.061987 0.241526
C 2.001664 0.793814 -0.601965
C 2.275941 -0.694753 -0.435161
C 3.175105 1.653913 -0.167147
C 3.176797 -1.321904 0.408873
C 4.310800 1.850747 -0.946797
C 3.135448 -2.762687 0.336084
C 5.301127 2.695955 -0.332704
C 2.194445 -3.242948 -0.558300
C 4.930189 3.141518 0.925343
H -4.796670 0.612085 -1.610921
H -3.330901 -2.084371 1.284229
H -4.906553 1.969526 0.783733
H -3.952710 0.215802 2.667104
H -2.336888 1.028296 -1.906619
H -2.998674 2.325141 -0.917617
H -1.526321 -0.354007 1.963179
H -1.145985 -1.183695 0.456792
H -1.704775 1.717136 0.948388
H -1.845466 -1.046853 -1.541022
H -2.639324 -2.642089 -1.366991
H -3.240088 -1.468238 -2.589241
H -4.797586 -2.954967 -0.541562
H -5.858478 -1.573756 -0.057367
H -5.410734 -1.814057 -1.793550
H 1.733708 1.958821 -2.228395
H 3.859425 -0.766106 1.055427
H 4.428421 1.388779 -1.929937
H 3.791820 -3.414496 0.916779
H 6.248442 2.960953 -0.806802
H 1.979909 -4.272476 -0.841112
H 5.474656 3.786412 1.613473


