%chk=000178615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178615

0 1
 S    1.420700       1.915800     -0.3358000    
 P   0.4395000      0.1466000      0.3236000    
 O   0.4311000      0.1706000       1.836600    
 N   -1.109100      0.1347000     -0.3397000    
 N    1.252700      -1.160000     -0.3383000    
 C   -2.033100       1.193300      8.4600002E-02
 C   -1.833200      -1.143100     -0.3018000    
 C   -3.239400       1.270700     -0.8357000    
 C   -2.337800      -1.446700       1.098700    
 C    1.435500      -1.239400      -1.788300    
 C    2.455000      -1.651200      0.3333000    
 C    3.118100       1.808800      0.2627000    
 H   -2.324500       1.128500       1.137700    
 H   -1.512700       2.153400     -7.1999999E-03
 H   -2.651500      -1.181500      -1.028200    
 H   -1.170200      -1.956500     -0.6143000    
 H   -2.948100       1.244700      -1.891500    
 H   -3.968000      0.4766000     -0.6477000    
 H   -3.763400       2.218700     -0.6691000    
 H   -1.551100      -1.395200       1.855100    
 H   -3.170700     -0.8080000       1.405800    
 H   -2.721500      -2.473700       1.120500    
 H   0.5120000     -0.9775000      -2.313500    
 H    1.694100      -2.258200      -2.096900    
 H    2.222400     -0.5599000      -2.131200    
 H    2.695200      -2.669800      8.8999998E-03
 H    2.296100      -1.699000       1.415100    
 H    3.322700      -1.015700      0.1437000    
 H    3.572900       2.802600      0.2452000    
 H    3.703500       1.151100     -0.3829000    
 H    3.137100       1.430500       1.287600    


%chk=000178615-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178615

0 1
S 1.384685 1.943840 -0.752643
P 0.648940 -0.014769 0.319261
O 1.163012 -0.036708 1.846135
N -1.049184 -0.017907 -0.088984
N 1.219976 -1.418835 -0.546880
C -1.845637 1.236886 -0.019189
C -1.809949 -1.286154 0.111172
C -2.538251 1.557280 -1.358260
C -2.149524 -1.594413 1.587235
C 1.052952 -1.474744 -2.010204
C 2.377172 -2.153579 -0.001826
C 2.471330 2.567437 0.668131
H -2.595008 1.150641 0.793824
H -1.172053 2.070184 0.247418
H -2.735935 -1.199782 -0.488507
H -1.217901 -2.114245 -0.316168
H -1.783348 1.741829 -2.142357
H -3.189738 0.728162 -1.689926
H -3.166304 2.462393 -1.257713
H -1.226205 -1.708440 2.182307
H -2.749745 -0.786670 2.043338
H -2.731436 -2.532452 1.657740
H 0.118477 -0.966869 -2.302581
H 0.991659 -2.532005 -2.328647
H 1.900307 -0.993297 -2.543340
H 2.233260 -3.237183 -0.173577
H 2.447101 -1.968335 1.082538
H 3.331394 -1.845938 -0.480286
H 2.155192 3.591271 0.916514
H 3.523435 2.546233 0.349279
H 2.315628 1.897368 1.533195


