%chk=000056939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056939

0 1
 S   -6.356900      0.4142000     -0.6704000    
 O   -2.551300     -0.7430000       1.993500    
 O    7.068900      0.7878000      0.3956000    
 N   -4.159700       1.203100      0.4396000    
 N   -5.796000       2.883800      0.1425000    
 C   -1.455800     -0.2629000     -0.1395000    
 C  -0.4194000      -1.343600      0.2602000    
 C   0.9660000      -1.116400     -0.3578000    
 C    1.506800      0.2682000      0.1180000    
 C   -2.737000     -0.8398000      0.5623000    
 C    2.950800      0.5801000     -0.4292000    
 C  -0.9310000       1.084100      0.3927000    
 C   0.4809000       1.404500     -0.1320000    
 C   -1.138500      -2.657400     -2.4900001E-02
 C   -2.630200      -2.364500      0.2514000    
 C    1.946200      -2.231800      3.4000002E-02
 C    3.862700     -0.6225000     -0.1491000    
 C   -1.666000     -0.1608000      -1.676000    
 C    3.334800      -1.980400     -0.5425000    
 C    3.491200       1.858100      0.2853000    
 C    2.948000      0.8365000      -1.954700    
 C   -4.037500     -0.1455000      0.1764000    
 C    5.005500       1.999700      0.1827000    
 C    5.077100     -0.5058000      0.4200000    
 C    5.705200      0.7968000      0.8084000    
 C   -5.121300     -0.7486000     -0.4211000    
 C   -5.343600       1.606100      3.4800000E-02
 H  -0.2726000      -1.308100       1.351700    
 H   0.8793000      -1.126600      -1.449400    
 H    1.601100      0.1940000       1.213900    
 H  -0.8936000       1.077200       1.489000    
 H   -1.606400       1.900400      0.1122000    
 H   0.4215000       1.637100      -1.199600    
 H   0.8156000       2.323900      0.3618000    
 H  -0.7723000      -3.466800      0.6154000    
 H   -1.000700      -2.972900      -1.065400    
 H   -3.196000      -2.654800     -0.6399000    
 H   -2.990000      -2.978700       1.085000    
 H    1.584000      -3.199200     -0.3329000    
 H    2.009800      -2.310500       1.127200    
 H   -2.068100      -1.083400      -2.105900    
 H   -2.372400      0.6419000      -1.916600    
 H  -0.7453000      6.3600004E-02  -2.220300    
 H    3.298800      -2.049100      -1.636500    
 H    4.004700      -2.781500     -0.2072000    
 H    3.221800       1.835300       1.350100    
 H    3.025100       2.759000     -0.1318000    
 H    3.967300      0.9176000      -2.350100    
 H    2.456500      3.3500001E-02  -2.512300    
 H    2.433800       1.770000      -2.206200    
 H    5.313500       2.123700     -0.8631000    
 H    5.333200       2.914700      0.6915000    
 H    5.658800      -1.403000      0.6198000    
 H   -3.321000      -1.157300       2.420300    
 H    5.689500      0.8866000       1.900900    
 H   -5.267200      -1.777200     -0.7163000    
 H    7.518500      6.5800004E-02  0.8676000    
 H   -6.718100       3.153700     -0.1837000    
 H   -5.228700       3.618600      0.5521000    


%chk=000056939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056939

0 1
S -6.607173 0.286260 -0.342257
O -2.492328 -0.674663 2.011547
O 7.156290 0.886043 0.527454
N -4.160306 1.216332 0.268260
N -5.786373 2.953712 0.006604
C -1.450803 -0.255616 -0.160225
C -0.412121 -1.368844 0.191575
C 0.980945 -1.132161 -0.425596
C 1.520231 0.242838 0.087353
C -2.726170 -0.849092 0.544545
C 2.977066 0.583662 -0.435484
C -0.922776 1.089590 0.389582
C 0.499320 1.390863 -0.159559
C -1.154294 -2.693632 -0.115347
C -2.656430 -2.377769 0.194994
C 1.961926 -2.268645 -0.057790
C 3.894024 -0.619451 -0.139210
C -1.736797 -0.147664 -1.682719
C 3.387808 -1.981806 -0.587004
C 3.502884 1.848400 0.316500
C 2.986229 0.855330 -1.972906
C -4.051264 -0.191744 0.201416
C 5.035515 2.007534 0.250006
C 5.096750 -0.494634 0.487486
C 5.724172 0.815179 0.921886
C -5.226441 -0.857756 -0.103419
C -5.385547 1.638065 0.017590
H -0.287557 -1.318913 1.294426
H 0.890142 -1.102501 -1.532623
H 1.617771 0.131030 1.192867
H -0.897389 1.031912 1.493033
H -1.612057 1.911347 0.124595
H 0.436142 1.607376 -1.244081
H 0.865749 2.318657 0.319509
H -0.776576 -3.533802 0.492884
H -1.028268 -2.977428 -1.178148
H -3.288784 -2.615533 -0.678616
H -3.031941 -2.970801 1.048430
H 1.598950 -3.232139 -0.466020
H 1.993498 -2.374797 1.046850
H -2.132728 -1.087195 -2.108396
H -2.481670 0.647048 -1.867213
H -0.825326 0.111136 -2.247585
H 3.362720 -2.020399 -1.696710
H 4.089002 -2.772715 -0.259653
H 3.192200 1.787571 1.380794
H 3.023320 2.752523 -0.102364
H 4.017029 1.031643 -2.328541
H 2.578628 0.005923 -2.549281
H 2.385406 1.748861 -2.219812
H 5.383556 2.047631 -0.798600
H 5.354857 2.948467 0.734266
H 5.683055 -1.403944 0.699861
H -3.333024 -0.910092 2.480853
H 5.661560 0.911890 2.030921
H -5.405070 -1.923781 -0.216808
H 7.631006 0.107195 0.916702
H -6.742844 3.223007 -0.200236
H -5.095392 3.667992 0.224917


