%chk=000014411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014411

0 1
 S   -2.949200      -4.312800      0.1588000    
 O    1.679800       2.492200     -9.9299997E-02
 N   1.1400000E-02  0.9665000      0.4219000    
 N    1.152900      -1.456100     -0.9953000    
 N   -2.596000       3.581500     -0.1463000    
 C  -0.8823000       2.087200      0.7601000    
 C  -0.5802000     -0.3492000      0.4169000    
 C   -1.685100       2.490600     -0.4700000    
 C  -8.4799998E-02  -1.427800     -0.3347000    
 C    1.331400       1.322600      0.1016000    
 C    2.435700      0.3449000      7.2300002E-02
 C    2.352400     -0.8863000     -0.5662000    
 C   -1.803200     -0.5478000       1.107100    
 C  -0.8335000      -2.631600     -0.3937000    
 C    3.673000      0.7858000      0.5846000    
 C   -2.035500      -2.791600      0.2858000    
 C   -2.517100      -1.746700       1.048900    
 C    3.528100      -1.656400     -0.6939000    
 C   -3.398200       3.947900      -1.315000    
 C   -1.854400       4.744500      0.3447000    
 C    4.821000      5.7999999E-03  0.4619000    
 C    4.750500      -1.216700     -0.1882000    
 C   -4.516600      -3.746500     -0.5622000    
 H   -1.490800       1.905300       1.647000    
 H  -0.2373000       2.915500       1.074000    
 H   -1.007600       2.766900      -1.289500    
 H   -2.267800       1.631100     -0.8236000    
 H    1.265200      -2.223600      -1.651000    
 H   -2.260700      0.2059000       1.736900    
 H  -0.4429000      -3.463700     -0.9810000    
 H    3.759900       1.751200       1.079200    
 H   -3.446100      -1.831200       1.607000    
 H    3.488700      -2.631100      -1.177800    
 H   -3.977900       3.088200      -1.669100    
 H   -2.779600       4.312400      -2.143200    
 H   -4.123500       4.727300      -1.056000    
 H   -1.467700       4.585900       1.356100    
 H   -2.521000       5.611300      0.4336000    
 H   -1.030300       5.028400     -0.3201000    
 H    5.766100      0.3594000      0.8623000    
 H    5.638000      -1.832900     -0.2943000    
 H   -4.332900      -3.209000      -1.496400    
 H   -5.049600      -3.094400      0.1344000    
 H   -5.146200      -4.614300     -0.7758000    


%chk=000014411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014411

0 1
S -3.020394 -4.011829 -0.958314
O 1.841290 2.352815 1.333875
N 0.062925 1.041917 0.614433
N 1.154807 -0.940530 -1.280787
N -2.501141 3.698826 -0.345334
C -0.820617 2.233260 0.773409
C -0.576748 -0.223704 0.350503
C -1.570224 2.563849 -0.537267
C -0.098016 -1.133242 -0.636164
C 1.433457 1.242486 0.858187
C 2.453279 0.189082 0.525142
C 2.358259 -0.730849 -0.559609
C -1.799869 -0.534702 0.994150
C -0.865852 -2.270552 -0.983678
C 3.689389 0.292703 1.219568
C -2.112774 -2.531615 -0.371221
C -2.570454 -1.663027 0.645446
C 3.510120 -1.466257 -0.956363
C -3.561618 3.739493 -1.372773
C -1.815224 5.002118 -0.216132
C 4.814018 -0.468183 0.853719
C 4.726225 -1.336051 -0.262128
C -4.496878 -4.065246 0.197931
H -1.557157 2.086625 1.582468
H -0.157675 3.056745 1.078592
H -0.819764 2.756056 -1.345871
H -2.165972 1.685178 -0.846464
H 1.274521 -1.504896 -2.126125
H -2.179953 0.134528 1.771269
H -0.470702 -2.964370 -1.736536
H 3.749142 1.030528 2.025445
H -3.515528 -1.841021 1.165568
H 3.435106 -2.158695 -1.804649
H -4.105166 2.778062 -1.386397
H -3.176031 3.934303 -2.406070
H -4.285080 4.537843 -1.126478
H -1.098938 4.982299 0.622139
H -2.559574 5.789958 -0.002758
H -1.255044 5.293169 -1.141087
H 5.751628 -0.370746 1.409642
H 5.597957 -1.917654 -0.582052
H -5.131578 -3.175520 0.064033
H -4.167615 -4.159554 1.244399
H -5.060438 -4.964999 -0.093162


