%chk=000072579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072579

0 1
 S   -3.968300      -1.474800      -1.490100    
 O  -0.1498000      -2.124800      0.2760000    
 O    5.478900       2.883700     -0.3096000    
 O   -3.379300      -2.796400     -0.7317000    
 O   -5.318100      -1.797100      -1.924300    
 O   -2.969900      -1.012800      -2.439500    
 N    3.152600       2.902900     -0.3976000    
 N   -1.652700     -5.7500001E-02 -0.1035000    
 C    2.008900      0.7625000     -9.9299997E-02
 C   0.8220000      1.5500000E-02 -2.4300000E-02
 C    3.304000      7.1300000E-02  5.7799999E-02
 C    1.941800       2.149100     -0.3219000    
 C    3.378900      -1.399000      0.2946000    
 C  -0.4231000      0.6361000     -0.1684000    
 C    2.177100      -2.126900      0.3664000    
 C   0.8685000      -1.446400      0.2088000    
 C    4.410800      0.8289000     -2.2299999E-02
 C   0.6831000       2.758100     -0.4645000    
 C  -0.4884000       2.006200     -0.3882000    
 C    4.396800       2.297500     -0.2566000    
 C    4.581300      -2.111900      0.4524000    
 C    2.182500      -3.513300      0.5879000    
 C   -2.939900      0.3256000      0.3141000    
 C    3.082500       4.343200     -0.6285000    
 C   -4.085100     -0.2498000     -0.2441000    
 C    4.584700      -3.492800      0.6726000    
 C    3.386800      -4.192700      0.7407000    
 C   -3.071300       1.301300       1.306300    
 C   -5.351000      0.1474000      0.1863000    
 C   -5.477100       1.121600       1.176700    
 C   -4.337200       1.698500       1.736600    
 C   -6.830300       1.546600       1.637000    
 H    5.410700      0.4217000      7.9000004E-02
 H   0.5797000       3.824200     -0.6451000    
 H   -1.431700       2.523800     -0.5392000    
 H   -1.592600      -1.017900     -0.4256000    
 H    5.549600      -1.622100      0.4099000    
 H    1.258900      -4.083400      0.6449000    
 H    2.596800       4.536100      -1.590100    
 H    4.080700       4.789500     -0.6611000    
 H    2.528900       4.818000      0.1876000    
 H    5.527800      -4.018700      0.7910000    
 H    3.390300      -5.264900      0.9119000    
 H   -2.204500       1.749700       1.784400    
 H   -6.252400     -0.2912000     -0.2325000    
 H   -4.421700       2.452600       2.514700    
 H   -7.540200       1.563200      0.8031000    
 H   -7.200500      0.8573000       2.402300    
 H   -6.809100       2.556900       2.059600    
 H   -3.944400      -3.156100     -8.1000002E-03


%chk=000072579-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072579

0 1
S -3.699037 -1.723207 -1.082004
O -0.299322 -2.161694 0.434024
O 5.540836 2.881983 -0.529064
O -2.983303 -2.876034 0.168422
O -5.122920 -2.339950 -1.518766
O -2.567754 -1.384192 -2.191651
N 3.190307 2.843766 -0.339328
N -1.651982 0.022649 0.476055
C 2.008080 0.707849 0.002448
C 0.771474 -0.004006 0.198292
C 3.287852 0.012337 -0.046497
C 1.997376 2.128839 -0.161764
C 3.318724 -1.458971 0.091440
C -0.477397 0.723000 0.256222
C 2.091962 -2.173276 0.251355
C 0.794827 -1.466115 0.299577
C 4.445059 0.760560 -0.223224
C 0.742484 2.813498 -0.165496
C -0.455738 2.135737 0.038247
C 4.472112 2.206019 -0.373363
C 4.530969 -2.203461 0.062535
C 2.094519 -3.589066 0.374616
C -2.971478 0.502278 0.597543
C 3.177698 4.312270 -0.504120
C -4.047726 -0.226521 0.025599
C 4.525008 -3.603856 0.185814
C 3.300683 -4.304812 0.342122
C -3.334854 1.644504 1.363148
C -5.397060 0.113492 0.184162
C -5.743531 1.260190 0.941936
C -4.685941 2.012854 1.516582
C -7.195445 1.642860 1.154973
H 5.433760 0.299823 -0.264832
H 0.710064 3.890687 -0.343697
H -1.396256 2.688874 -0.010175
H -1.478613 -1.012375 0.513455
H 5.489657 -1.691733 -0.057894
H 1.133206 -4.095541 0.496929
H 2.628364 4.603469 -1.416892
H 4.228022 4.627646 -0.598347
H 2.725225 4.804153 0.374740
H 5.471351 -4.154594 0.159972
H 3.299273 -5.395379 0.436862
H -2.554109 2.210417 1.879752
H -6.163735 -0.510325 -0.288808
H -4.927475 2.895725 2.119963
H -7.829507 1.309324 0.315909
H -7.595944 1.175481 2.075300
H -7.314817 2.735043 1.261981
H -1.988946 -2.951718 0.002447


