%chk=000088915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088915

0 1
 S    2.460900      -1.212700     -1.3000000E-03
 O   0.5513000       2.121400      5.4000001E-03
 N  -0.2146000     -0.1014000      2.2800000E-02
 N    4.444800      0.4446000     -6.2000002E-03
 N    5.045400      -1.842100     -1.9200001E-02
 C   -1.602900      3.6400001E-02  8.9999996E-03
 C   -3.804500     -0.9583000     -3.9999999E-04
 C   -2.416600      -1.096400      1.3800000E-02
 C   -2.177100       1.307400     -9.8999999E-03
 C   -4.378700      0.3128000     -1.9200001E-02
 C   -3.565000       1.445700     -2.3900000E-02
 C   0.7530000      0.9120000      2.0300001E-02
 C    2.164400      0.4454000      8.8999998E-03
 C   -4.675000      -2.169200      5.2000000E-03
 C    3.280200       1.187100      4.3000001E-03
 C    4.134400     -0.8326000     -9.6000005E-03
 H   -1.970700      -2.088500      3.0300001E-02
 H   0.1260000      -1.060400      3.2299999E-02
 H   -1.616600       2.231400     -1.4500000E-02
 H   -5.458700      0.4339000     -2.8300000E-02
 H   -4.013400       2.435000     -3.7999999E-02
 H   -4.202000      -2.996600     -0.5348000    
 H   -4.870200      -2.486700       1.034300    
 H   -5.633000      -1.971600     -0.4878000    
 H    3.347400       2.266600      8.7000001E-03
 H    4.763100      -2.816700     -2.1900000E-02
 H    6.043800      -1.660800     -2.4700001E-02


%chk=000088915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088915

0 1
S 2.602342 -1.471587 -0.010631
O 0.565008 2.106340 0.004037
N -0.265826 -0.100519 -0.001880
N 4.517956 0.419334 0.004925
N 5.389558 -1.809163 -0.007769
C -1.672584 0.116770 -0.003878
C -3.911548 -0.930914 -0.013338
C -2.502776 -1.037312 -0.010424
C -2.261260 1.409568 -0.004379
C -4.491595 0.364389 -0.018518
C -3.668291 1.511880 -0.012162
C 0.761428 0.848489 0.000978
C 2.138879 0.309172 0.000178
C -4.782497 -2.175874 0.013497
C 3.295093 1.080288 0.006942
C 4.363297 -0.901062 -0.003690
H -2.041742 -2.035374 -0.013665
H 0.017727 -1.084225 -0.002392
H -1.622211 2.293571 -0.002149
H -5.582857 0.469329 -0.028107
H -4.126092 2.507545 -0.017447
H -4.298545 -3.024508 -0.501957
H -4.987263 -2.495473 1.053863
H -5.757494 -1.993841 -0.471331
H 3.267066 2.170047 0.013654
H 5.227576 -2.811661 -0.014451
H 6.342351 -1.449508 -0.004308


