%chk=000068828.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068828

0 1
 S  -0.9947000      -4.285200      0.3385000    
 O   -4.735200       1.115500     -1.4000000E-02
 N   -1.236100       2.391600      0.1150000    
 C   -2.620000       2.271300     -0.3605000    
 C   -3.397400       1.233300      0.4961000    
 C   -2.797200     -0.1328000      0.5086000    
 C  -0.4836000       3.300500     -0.7320000    
 C   0.9535000       3.426800     -0.2293000    
 C   -2.021500      -2.078000     -0.6642000    
 C   -2.588300     -0.8094000     -0.6949000    
 C   -3.259900       3.659800     -0.3074000    
 C   -1.792400      -2.952900      -1.861900    
 C    1.665800       2.072600     -0.2449000    
 C   -1.685000      -2.669700      0.5570000    
 C   -2.452900     -0.7296000       1.728400    
 C  -0.7691000      -4.014200      -1.445500    
 C    3.116500       2.203100      0.2244000    
 C   -1.895400      -2.008900       1.758500    
 C    3.837900      0.8804000      0.1793000    
 C    3.817000      5.4299999E-02   1.293400    
 C    4.510800      0.5099000     -0.9757000    
 C    4.484400      -1.169900       1.251700    
 C    5.178000     -0.7144000      -1.017300    
 C    5.164800      -1.554200      9.6500002E-02
 H   -2.632400       1.942400      -1.407700    
 H   -3.485400       1.609800       1.524000    
 H   -1.225900       2.722700       1.079400    
 H  -0.4748000       2.946200      -1.769800    
 H  -0.8847000       4.317900     -0.7233000    
 H    1.493800       4.134200     -0.8701000    
 H   0.9632000       3.842400      0.7862000    
 H   -2.871400     -0.3696000      -1.646300    
 H   -2.886700       4.329100      -1.088800    
 H   -3.119100       4.140200      0.6678000    
 H   -4.339400       3.601900     -0.4819000    
 H   -2.739400      -3.425500      -2.148500    
 H   -1.419400      -2.378400      -2.716200    
 H    1.145300       1.355700      0.4019000    
 H    1.639900       1.657600      -1.260900    
 H   -2.616800     -0.2060000       2.667000    
 H  -0.8896000      -4.941800      -2.011900    
 H   0.2490000      -3.641900      -1.605100    
 H    3.147600       2.604900       1.245500    
 H    3.650700       2.932200     -0.3985000    
 H   -1.633400      -2.465600       2.707700    
 H   -5.248600       1.866800      0.3272000    
 H    3.288000      0.3437000       2.197000    
 H    4.525200       1.155900      -1.848800    
 H    4.473400      -1.824300       2.118500    
 H    5.707400      -1.014200      -1.917000    
 H    5.683900      -2.507500      6.3800000E-02


%chk=000068828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068828

0 1
S 0.040294 -3.806945 0.838526
O -4.680218 0.893132 0.023945
N -1.456299 2.844053 0.223059
C -2.736168 2.414897 -0.372490
C -3.367458 1.324740 0.553291
C -2.518536 0.072484 0.676463
C -0.536687 3.645058 -0.612527
C 0.920830 3.516741 -0.113714
C -1.600077 -1.967889 -0.324877
C -2.394337 -0.812047 -0.426007
C -3.733680 3.577669 -0.643566
C -1.420734 -3.045678 -1.385864
C 1.506487 2.109710 -0.359623
C -0.927115 -2.247500 0.893828
C -1.847413 -0.232180 1.882627
C -0.103457 -3.789765 -1.069298
C 2.865196 1.889152 0.356214
C -1.043980 -1.391750 2.004475
C 3.498505 0.539104 0.043554
C 2.853614 -0.669828 0.419034
C 4.739057 0.453837 -0.639025
C 3.431923 -1.924393 0.124265
C 5.322880 -0.799612 -0.938244
C 4.671056 -1.994312 -0.556160
H -2.496295 1.928557 -1.339218
H -3.500311 1.777767 1.563963
H -1.568542 3.236251 1.167751
H -0.599415 3.253951 -1.647709
H -0.817149 4.725265 -0.664036
H 1.545500 4.282014 -0.619171
H 0.953776 3.751781 0.971507
H -2.946159 -0.602351 -1.349342
H -3.226678 4.393173 -1.189774
H -4.120498 4.000851 0.305783
H -4.589865 3.257400 -1.267314
H -2.271833 -3.754894 -1.333125
H -1.396703 -2.629764 -2.409639
H 0.770329 1.359737 -0.013302
H 1.639390 1.950760 -1.449140
H -1.943886 0.442467 2.741906
H -0.092078 -4.833457 -1.417471
H 0.777195 -3.247585 -1.451760
H 2.698177 1.984415 1.449267
H 3.563877 2.701327 0.072386
H -0.527084 -1.611990 2.944030
H -5.297809 1.668153 0.031193
H 1.891342 -0.632395 0.944842
H 5.251840 1.377464 -0.936335
H 2.912559 -2.839296 0.433995
H 6.283837 -0.842521 -1.464408
H 5.123199 -2.967058 -0.781763


