%chk=000106303.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106303

0 1
 S    4.280400      -2.173300     -0.1997000    
 O    2.580800       2.588400      5.2999999E-02
 N   -3.441000     -0.1884000     -9.5500000E-02
 N    1.865200     -0.8209000     -0.1306000    
 N    3.691800      0.5108000     -5.4099999E-02
 C   -4.039800       1.979500      0.4904000    
 C   -4.613000      0.6740000     -6.3600004E-02
 C   -2.587900       1.996500      7.1999999E-03
 C   -2.255100      0.5253000     -7.0000000E-02
 C   -3.595900      -1.606300     -0.3266000    
 C  -0.9957000      7.1199998E-02 -9.0300001E-02
 C    1.418000      0.4817000     -6.1400000E-02
 C   0.1627000      0.9336000     -4.1099999E-02
 C   -5.048500      -2.027200     -0.2398000    
 C    2.607300       1.371700     -1.0600000E-02
 C   0.9682000      -1.966000     -0.1967000    
 C    3.282000     -0.8322000     -0.1279000    
 C   0.6518000      -2.503400       1.183700    
 C    5.068800      0.9849000     -2.6500000E-02
 H   -4.062600       1.958600       1.587800    
 H   -4.604100       2.856800      0.1604000    
 H   -5.412400      0.3305000      0.5989000    
 H   -5.007000      0.8242000      -1.075100    
 H   -1.975500       2.564200      0.7132000    
 H   -2.524700       2.451500     -0.9877000    
 H   -3.205400      -1.863400      -1.318100    
 H   -3.018400      -2.171800      0.4139000    
 H  -0.9868000     -0.9907000     -1.6000001E-02
 H   7.7999998E-03   2.007200     -3.4000000E-03
 H   -5.467000      -1.851500      0.7566000    
 H   -5.674700      -1.529300     -0.9872000    
 H   -5.125800      -3.103800     -0.4293000    
 H   0.1940000      -1.885700     -0.9611000    
 H    1.558400      -2.772500     -0.6543000    
 H    1.562300      -2.803800       1.713500    
 H   0.1449000      -1.764900       1.812200    
 H   6.6999998E-03  -3.384400       1.106600    
 H    5.575800      0.5526000      0.8409000    
 H    5.103400       2.075600      3.3900000E-02
 H    5.577500      0.6509000     -0.9353000    


%chk=000106303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106303

0 1
S 4.564599 -2.092646 -0.280465
O 2.461925 2.565780 0.211670
N -3.619146 -0.043039 -0.063939
N 2.019225 -0.948952 -0.183224
N 3.696691 0.530355 -0.005700
C -4.171703 2.229211 0.308945
C -4.752478 0.902346 -0.235614
C -2.649043 2.112833 0.025444
C -2.394072 0.609191 -0.024231
C -3.745555 -1.495044 -0.284483
C -1.146121 -0.014330 -0.066957
C 1.403304 0.325442 -0.034335
C 0.076256 0.727522 0.007323
C -5.139189 -2.052643 0.052159
C 2.505639 1.307850 0.074506
C 1.344668 -2.251668 -0.297039
C 3.413509 -0.833972 -0.156610
C 0.875862 -2.800763 1.067033
C 5.042536 1.096118 0.062711
H -4.350286 2.293285 1.396485
H -4.628789 3.111601 -0.167457
H -5.639344 0.563870 0.324886
H -5.034436 0.988583 -1.307760
H -2.037396 2.614769 0.793057
H -2.382384 2.565463 -0.949033
H -3.485117 -1.741855 -1.338135
H -2.995974 -1.998290 0.355908
H -1.109866 -1.101982 -0.167407
H 0.000201 1.818657 0.119291
H -5.412824 -1.842972 1.101393
H -5.923897 -1.639399 -0.605530
H -5.133359 -3.148246 -0.084804
H 0.506030 -2.152760 -1.008672
H 2.085076 -2.943128 -0.738099
H 1.745660 -2.961583 1.726672
H 0.180572 -2.107100 1.571701
H 0.365116 -3.771666 0.928827
H 5.603497 0.653886 0.903288
H 4.930356 2.182832 0.207731
H 5.596757 0.892643 -0.869237


