%chk=000078262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078262

0 1
 S    2.000700       2.037900     -0.3082000    
 O   -2.034400     -0.6333000     -0.1994000    
 O   -2.443300       1.422400      0.7523000    
 N  -0.3766000       3.260700     -0.2050000    
 C    1.848200      -2.390600      0.6202000    
 C   0.5439000      -1.654800      0.2753000    
 C    3.007800      -1.938800     -0.2797000    
 C   0.7671000     -0.1854000      9.2500001E-02
 C    3.300200     -0.4380000     -0.1231000    
 C    2.026200      0.3473000     -0.1100000    
 C  -0.2358000      0.8299000      7.3399998E-02
 C   0.2977000       2.083700     -0.1344000    
 C   -1.649600      0.6044000      0.2519000    
 C   -3.419200     -0.9757000     -7.7600002E-02
 C   -3.632800      -2.369600     -0.6282000    
 H    2.112700      -2.198800       1.668200    
 H    1.695700      -3.471200      0.5209000    
 H  -0.1804000      -1.844000       1.075400    
 H   0.1382000      -2.070800     -0.6552000    
 H    2.754000      -2.156000      -1.325400    
 H    3.910900      -2.513100     -4.4199999E-02
 H    3.958500     -0.1090000     -0.9351000    
 H    3.830000     -0.2696000      0.8226000    
 H   0.1066000       4.139200     -0.3621000    
 H   -1.385100       3.319800     -0.1066000    
 H   -3.709000     -0.9442000      0.9783000    
 H   -4.022100     -0.2559000     -0.6420000    
 H   -4.682800      -2.664800     -0.5497000    
 H   -3.328700      -2.419400      -1.678900    
 H   -3.019000      -3.096000     -8.5299999E-02


%chk=000078262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078262

0 1
S 2.090062 2.153814 0.023448
O -2.090345 -0.706401 -0.117169
O -2.513202 1.583925 -0.080839
N -0.447557 3.280189 -0.026578
C 1.932950 -2.468895 0.416892
C 0.634520 -1.718037 0.033268
C 3.162417 -1.916582 -0.340447
C 0.838330 -0.210568 0.011329
C 3.419054 -0.433182 0.038296
C 2.111793 0.315925 0.027372
C -0.219981 0.804076 -0.021425
C 0.288316 2.128283 -0.012093
C -1.662834 0.626873 -0.071089
C -3.568398 -0.905961 -0.172984
C -3.805192 -2.412787 -0.218865
H 2.108605 -2.367200 1.506976
H 1.808544 -3.548851 0.209528
H -0.179061 -1.971918 0.734649
H 0.278128 -2.051407 -0.962141
H 2.983304 -1.990130 -1.431221
H 4.063288 -2.517111 -0.112633
H 4.139550 0.017654 -0.672575
H 3.892369 -0.379366 1.041344
H -0.018608 4.201427 -0.033380
H -1.471189 3.140152 -0.045179
H -4.021521 -0.433409 0.717389
H -3.959102 -0.389521 -1.068444
H -4.890168 -2.619704 -0.265594
H -3.327707 -2.860125 -1.107681
H -3.396765 -2.904861 0.680744


