%chk=000002077.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002077

0 1
 S    4.522700      0.2094000      0.9561000    
 O    1.451500     -0.2970000      0.1350000    
 O   -1.402000       1.245400      -1.389800    
 O   -4.396600       2.098800       1.525100    
 O   -5.795300      0.6136000      0.5514000    
 O    6.073900      -1.851600      0.3723000    
 N   0.9990000       1.904400     -0.4176000    
 N   -2.207900      0.8831000      0.7638000    
 C  -0.1470000       2.066100      0.4675000    
 C  -0.3758000       3.571700      0.5337000    
 C   0.1345000       4.067900     -0.8169000    
 C    1.318500       3.155800      -1.099900    
 C    1.753200      0.7419000     -0.4546000    
 C   -1.302100       1.355000     -0.1706000    
 C    3.004800      0.8059000      -1.293100    
 C   -3.419700      0.1817000      0.4060000    
 C    4.062500     -0.1610000     -0.7660000    
 C    2.616700      0.4595000      -2.725700    
 C   -3.455000      -1.217300       1.034600    
 C   -4.653200      0.9698000      0.8220000    
 C   -2.595600      -2.216100      0.2975000    
 C   -3.148700      -2.957000     -0.7347000    
 C   -1.269300      -2.374300      0.6670000    
 C    5.741500      -1.033400       1.221200    
 C   -2.354800      -3.880200      -1.415500    
 C  -0.4754000      -3.297200     -1.3800000E-02
 C   -1.018200      -4.050300      -1.054900    
 C    6.337700     -0.9948000       2.599700    
 H   7.8900002E-02   1.633600       1.448500    
 H   -1.418400       3.852700      0.7105000    
 H   0.2376000       4.005300       1.333100    
 H   0.4127000       5.125400     -0.8036000    
 H  -0.6391000       3.931100      -1.581900    
 H    2.230200       3.563700     -0.6496000    
 H    1.479600       3.011400      -2.169200    
 H    3.435800       1.812000      -1.277800    
 H   -2.049300       1.074900       1.748900    
 H   -3.471600      0.1130000     -0.6878000    
 H    4.962200     -9.3400002E-02  -1.388100    
 H    3.703600      -1.195800     -0.8140000    
 H    3.480600      0.5564000      -3.392000    
 H    1.820600       1.098900      -3.116200    
 H    2.255700     -0.5735000      -2.796800    
 H   -4.483100      -1.603600       1.057500    
 H   -3.148300      -1.173400       2.088900    
 H   -4.187800      -2.829800      -1.024500    
 H  -0.8373000      -1.793800       1.477000    
 H   -5.219600       2.571100       1.774000    
 H   -2.777100      -4.465900      -2.226800    
 H   0.5657000      -3.428900      0.2664000    
 H  -0.3997000      -4.768500      -1.585200    
 H    7.084500      -1.789200       2.691900    
 H    6.833600     -3.5500001E-02   2.772300    
 H    5.563000      -1.162300       3.353100    


%chk=000002077-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002077

0 1
S 4.278022 0.792384 2.266098
O 0.674830 -0.115522 1.856484
O -2.292211 2.276948 -0.652302
O -3.444735 1.237302 2.966930
O -5.086883 -0.296506 2.399378
O 5.913306 -0.026325 0.217367
N 1.007491 1.262576 0.022984
N -1.846630 0.597923 0.907504
C -0.062872 2.226631 0.442635
C 0.255168 3.488148 -0.384166
C 0.844656 2.913567 -1.696293
C 1.702467 1.717920 -1.219748
C 1.361055 0.199958 0.813418
C -1.503848 1.701529 0.162583
C 2.594254 -0.633249 0.432324
C -3.187539 0.029267 0.849786
C 3.487442 -0.823635 1.674880
C 2.137542 -2.020839 -0.097254
C -3.195425 -1.493573 0.513877
C -4.007692 0.275600 2.126276
C -2.712022 -1.799484 -0.895866
C -3.426973 -1.323856 -2.026251
C -1.554080 -2.586438 -1.112582
C 5.723691 0.843861 1.097709
C -2.997272 -1.628201 -3.335763
C -1.119536 -2.895948 -2.422808
C -1.840582 -2.417534 -3.540070
C 6.640914 2.026781 1.345757
H 0.027731 2.380473 1.534355
H -0.655934 4.078721 -0.563502
H 1.000874 4.108150 0.145749
H 1.444555 3.647280 -2.259483
H 0.020930 2.563401 -2.341716
H 2.735554 2.037009 -0.980409
H 1.747540 0.905934 -1.966167
H 3.187242 -0.133163 -0.351954
H -1.116526 0.206742 1.535090
H -3.716406 0.580851 0.044388
H 4.321317 -1.507577 1.445677
H 2.897047 -1.188383 2.530272
H 3.015242 -2.626460 -0.384950
H 1.483641 -1.912678 -0.980786
H 1.572452 -2.559459 0.684363
H -4.233452 -1.847525 0.655691
H -2.568687 -2.024431 1.255108
H -4.328457 -0.714566 -1.883657
H -0.992707 -2.963610 -0.248827
H -4.045090 1.366882 3.751508
H -3.563672 -1.253304 -4.195685
H -0.226504 -3.514960 -2.569802
H -1.509319 -2.658457 -4.556485
H 6.868596 2.523955 0.386628
H 6.207117 2.754214 2.049891
H 7.597277 1.657378 1.760216


