%chk=000085388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085388

0 1
 S    2.759900       2.200600      0.1460000    
 O   -3.998300       2.101700     -9.2299998E-02
 N   -3.662300     -0.1113000     -2.7799999E-02
 N   -3.608300      -2.294500      3.1500001E-02
 N   -4.961200     -0.4442000     -4.2399999E-02
 C  -0.8554000      0.2546000      1.2000000E-02
 C   0.5637000      0.4329000      3.1599998E-02
 C    1.420000     -0.7173000      4.6300001E-02
 C   -1.405600      -1.052900      3.6800001E-02
 C   -1.709800       1.393400     -2.8000001E-02
 C    1.038900       1.768700      4.0700000E-02
 C    2.917600     -0.6060000      3.3000000E-03
 C   -2.855000      -1.215600      1.6500000E-02
 C   0.8032000      -1.990100      9.2900001E-02
 C  -0.5773000      -2.161400      8.6999997E-02
 C   -3.187300       1.189600     -5.2800000E-02
 C   -1.211700       2.687100     -3.9099999E-02
 C    3.585200      0.6329000      5.0099999E-02
 C   0.1598000       2.868500      1.2000001E-03
 C    3.748400      -1.749000     -0.1041000    
 C    4.994400      0.7046000      1.4900000E-02
 C    5.145300      -1.673100     -0.1413000    
 C    5.771000     -0.4423000     -7.7699997E-02
 C   -4.875200      -1.776900     -5.5000000E-03
 H    1.381600      -2.907900      0.1373000    
 H  -0.9841000      -3.168900      0.1179000    
 H   -1.865600       3.553100     -6.8000004E-02
 H   0.5414000       3.888300      7.4999998E-03
 H    3.338800      -2.752400     -0.1719000    
 H    5.504400       1.665800      5.5700000E-02
 H    5.734900      -2.581600     -0.2224000    
 H    6.853600     -0.3722000     -0.1058000    
 H   -5.762400      -2.392300     -5.2000000E-03


%chk=000085388-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085388

0 1
S 2.794257 2.246545 -0.003667
O -4.046921 2.238841 0.007774
N -3.687323 -0.091416 0.007923
N -3.613780 -2.341957 0.009214
N -5.035269 -0.486316 0.011863
C -0.872746 0.264339 -0.000407
C 0.569640 0.447230 -0.004907
C 1.446060 -0.715339 -0.008804
C -1.414681 -1.066517 0.002235
C -1.759677 1.400296 0.001997
C 1.044667 1.805023 -0.004516
C 2.930749 -0.609971 -0.018465
C -2.851339 -1.218224 0.006414
C 0.838808 -1.996014 -0.003767
C -0.556739 -2.176752 0.001590
C -3.242319 1.275393 0.006077
C -1.227478 2.702994 0.000738
C 3.626195 0.634508 -0.016059
C 0.163342 2.906164 -0.002100
C 3.756202 -1.779179 -0.031581
C 5.040576 0.712184 -0.023647
C 5.158083 -1.716052 -0.039404
C 5.813245 -0.460747 -0.034852
C -4.914752 -1.842359 0.012437
H 1.455880 -2.895477 -0.003346
H -0.992835 -3.180242 0.005104
H -1.922899 3.548341 0.002460
H 0.566638 3.923876 -0.002249
H 3.295718 -2.769077 -0.037024
H 5.528109 1.693268 -0.021168
H 5.741815 -2.642030 -0.049470
H 6.905980 -0.398666 -0.040712
H -5.794606 -2.480770 0.015220


