%chk=000170418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170418

1 1
 S    2.567600     -0.5834000       1.206400    
 O    3.960000     -0.9839000      0.8158000    
 N   -3.739900      0.5167000      0.1556000    
 N  -1.2300000E-02  0.1871000     -0.3286000    
 C   -2.355300      7.5000003E-02  0.4824000    
 C   -1.396600      0.5936000     -0.5885000    
 C   -4.129500      6.9600001E-02  -1.257900    
 C   -4.745100     -8.3899997E-02   1.145000    
 C   -3.849700       2.044100      0.2250000    
 C   -2.017200      0.5420000       1.891800    
 C   0.2833000      -1.194600     -0.3144000    
 C   0.9787000       1.193600     -0.2843000    
 C    1.470000      -1.666600      0.2765000    
 C    2.229300      0.9409000      0.3095000    
 C  -0.5546000      -2.145800     -0.9345000    
 C   0.7865000       2.459700     -0.8768000    
 C    1.785600      -3.036500      0.2507000    
 C    3.230800       1.927600      0.3134000    
 C  -0.2321000      -3.504800     -0.9621000    
 C    1.788200       3.433500     -0.8751000    
 C   0.9400000      -3.950400     -0.3699000    
 C    3.012300       3.166600     -0.2803000    
 H   -2.384600      -1.018900      0.4968000    
 H   -1.649200      0.2948000      -1.609500    
 H   -1.478600       1.675700     -0.5688000    
 H   -3.615700      0.6840000      -2.001200    
 H   -3.889700     -0.9917000      -1.367400    
 H   -5.206900      0.2215000      -1.380500    
 H   -5.754000      8.2800001E-02  0.7534000    
 H   -4.553500      -1.157200       1.232400    
 H   -4.669000      0.4217000       2.110200    
 H   -3.610200       2.406600       1.225600    
 H   -3.241300       2.517900     -0.5465000    
 H   -4.896800       2.296100      1.9400001E-02
 H   -2.722300      0.2216000       2.660900    
 H   -1.060400      9.7700000E-02   2.194600    
 H   -1.865400       1.622500       1.969000    
 H   -1.465700      -1.856100      -1.450300    
 H  -0.1149000       2.720400      -1.423400    
 H    2.690100      -3.408100      0.7272000    
 H    4.190300       1.744400      0.7921000    
 H  -0.8957000      -4.209500      -1.454600    
 H    1.613000       4.393000      -1.353000    
 H    1.194100      -5.005800     -0.3856000    
 H    3.793800       3.920200     -0.2747000    


%chk=000170418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170418

1 1
S 2.130177 -0.623556 1.614943
O 3.677720 -1.216766 1.766720
N -3.891662 0.400684 0.271624
N -0.079366 0.358865 -0.253296
C -2.356791 0.319957 0.655811
C -1.432924 0.872109 -0.478997
C -4.186928 -0.556647 -0.885414
C -4.742618 -0.042675 1.463797
C -4.301592 1.814857 -0.130732
C -2.046310 1.011368 1.992065
C 0.187556 -1.045030 -0.434202
C 1.045399 1.263969 -0.230306
C 1.263859 -1.640657 0.264039
C 2.205803 0.908501 0.495453
C -0.526976 -1.858376 -1.354289
C 1.082906 2.465611 -0.984272
C 1.681844 -2.959640 0.047840
C 3.386335 1.662306 0.470143
C -0.149488 -3.206779 -1.550304
C 2.247763 3.265755 -0.980350
C 0.960341 -3.758896 -0.869796
C 3.405045 2.865190 -0.273095
H -2.177688 -0.768195 0.746638
H -1.813829 0.617583 -1.489343
H -1.394448 1.971472 -0.409533
H -3.645084 -0.235843 -1.785161
H -3.871705 -1.571694 -0.600300
H -5.268827 -0.542834 -1.088743
H -5.792651 -0.112687 1.139439
H -4.391766 -1.026819 1.810289
H -4.656180 0.692475 2.274699
H -4.080607 2.509494 0.691908
H -3.752301 2.114114 -1.034605
H -5.382745 1.822755 -0.339206
H -2.486163 0.500282 2.862707
H -0.950978 0.979429 2.122680
H -2.340447 2.076237 2.006342
H -1.330871 -1.435811 -1.967575
H 0.235216 2.759835 -1.613286
H 2.557830 -3.336810 0.588814
H 4.263825 1.302837 1.020195
H -0.703960 -3.818726 -2.269857
H 2.261150 4.191782 -1.564534
H 1.260004 -4.795130 -1.051689
H 4.309534 3.479804 -0.301463


