%chk=000096514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096514

0 1
 S   -2.710200     -0.9353000      0.3487000    
 O    2.668500      -2.643500     -3.3399999E-02
 O    4.114300       1.821200     -0.1873000    
 N    1.830700       1.409700     -1.4500000E-02
 N    3.420600     -0.4149000     -0.1125000    
 N  -8.8100001E-02  -1.515700      0.1582000    
 N  -0.5106000      0.6733000      0.1661000    
 C    1.123000     -0.8925000      6.1500002E-02
 C   0.8358000      0.4452000      6.8700001E-02
 C    2.438500      -1.437600     -2.9400000E-02
 C   -1.040500     -0.5314000      0.2184000    
 C   -5.062500      0.5817000      0.5108000    
 C    3.186600       1.007700     -0.1109000    
 C   -3.542400      0.6917000      0.3948000    
 C   -5.719700     -0.1336000     -0.6728000    
 C    1.474800       2.823100     -4.0000002E-03
 C    4.817200     -0.8259000     -0.2102000    
 C   -7.236100     -0.1234000     -0.5522000    
 H  -0.2553000      -2.512900      0.1817000    
 H   -5.327400      7.0500001E-02   1.445000    
 H   -5.472000       1.597100      0.5864000    
 H   -3.279400       1.245800     -0.5128000    
 H   -3.156600       1.252300       1.253000    
 H   -5.431500      0.3572000      -1.609600    
 H   -5.386800      -1.174800     -0.7339000    
 H    2.359700       3.460500     -7.5300001E-02
 H   0.9499000       3.050700      0.9290000    
 H   0.8200000       3.031200     -0.8558000    
 H    4.933000      -1.912100     -0.2072000    
 H    5.368600     -0.4013000      0.6348000    
 H    5.239200     -0.4201000      -1.135200    
 H   -7.687700     -0.6378000      -1.406300    
 H   -7.621600      0.9010000     -0.5308000    
 H   -7.560100     -0.6322000      0.3613000    


%chk=000096514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096514

0 1
S -2.795553 -1.086059 0.174132
O 2.865511 -2.683771 -0.034650
O 4.107051 1.875517 -0.079133
N 1.812987 1.384527 0.004725
N 3.467917 -0.380421 -0.056328
N -0.059866 -1.634237 0.070397
N -0.537473 0.596012 0.090089
C 1.170769 -0.960656 0.026577
C 0.838708 0.400248 0.039734
C 2.514197 -1.463412 -0.021856
C -1.051982 -0.665500 0.108544
C -5.027220 0.624450 0.432265
C 3.182184 1.014309 -0.045584
C -3.517255 0.685655 0.165686
C -5.849489 -0.103384 -0.657221
C 1.443380 2.812319 0.021221
C 4.905407 -0.732795 -0.107820
C -7.366019 -0.055922 -0.374608
H -0.172176 -2.647783 0.071744
H -5.217104 0.160199 1.420380
H -5.382032 1.673329 0.509386
H -3.276906 1.118662 -0.818585
H -2.968887 1.238121 0.943883
H -5.636890 0.358595 -1.642392
H -5.519117 -1.158428 -0.731342
H 2.374746 3.395819 -0.014447
H 0.881902 3.048156 0.940928
H 0.811188 3.050409 -0.850706
H 4.971930 -1.830700 -0.108097
H 5.429839 -0.313096 0.766115
H 5.365404 -0.316725 -1.019038
H -7.937611 -0.579979 -1.161654
H -7.730451 0.987835 -0.330764
H -7.605189 -0.536395 0.592719


