%chk=000051526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051526

0 1
 S   -2.053400       2.794700      0.6090000    
 N   -2.073200      0.5958000     -0.8870000    
 N   6.7100003E-02  0.7639000      0.1990000    
 N  -8.1799999E-02  0.4001000      -2.155200    
 N   -3.939700       1.030800      0.4977000    
 N    4.246500      0.8246000     -3.5999999E-03
 C   -2.621900      -1.656900      -1.660600    
 C   -2.942900      -2.151000     -0.2466000    
 C   -2.862800     -0.1592000      -1.829900    
 C   -2.701200      -3.655300     -0.1175000    
 C  -0.6382000      0.5855000     -0.8998000    
 C   -2.979300      -4.145200       1.294700    
 C   -2.773800       1.363800      4.7499999E-02
 C    1.469600      0.7559000      0.1355000    
 C    2.207000     -0.4247000      0.2919000    
 C    3.613200     -0.3436000      0.2140000    
 C    2.118100       1.961100     -8.8799998E-02
 C    3.496800       1.941100     -0.1492000    
 C    1.579000      -1.660900      0.5203000    
 C    4.346400      -1.516700      0.3694000    
 C    2.336900      -2.818400      0.6720000    
 C    3.722400      -2.745900      0.5964000    
 C   -3.441200       3.041300       1.585800    
 C   -4.331600       2.005700       1.394200    
 C    4.238100       3.213800     -0.3895000    
 H   -1.582600      -1.907300      -1.903900    
 H   -3.247100      -2.195000      -2.383800    
 H   -3.988600      -1.925000     -5.5000000E-03
 H   -2.318800      -1.633600      0.4907000    
 H   -2.636200      0.1402000      -2.859400    
 H   -3.939000      3.3000000E-02  -1.724700    
 H   -1.662400      -3.889300     -0.3788000    
 H   -3.343400      -4.197400     -0.8212000    
 H   -2.802900      -5.223200       1.363600    
 H   -2.325900      -3.647400       2.018400    
 H   -4.018400      -3.951700       1.579400    
 H    1.562500       2.885300     -0.2120000    
 H   0.4972000      -1.747400      0.5872000    
 H   0.9221000      0.3687000      -2.294400    
 H  -0.6431000      0.3520000      -2.996300    
 H    5.433200      -1.486700      0.3144000    
 H    1.848200      -3.771700      0.8487000    
 H    4.321600      -3.644100      0.7138000    
 H    5.319200       3.041500     -0.4110000    
 H    3.946500       3.648500      -1.350900    
 H    4.027000       3.933700      0.4077000    
 H   -3.536800       3.902300       2.231800    
 H   -5.289400       1.913000       1.888400    


%chk=000051526-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051526

0 1
S -1.275798 1.164601 2.123958
N -1.867065 0.458305 -0.599232
N 0.376486 0.615933 0.074130
N -0.147463 0.156121 -2.218203
N -3.657683 0.831344 0.941643
N 4.625226 1.098404 -0.287647
C -3.095208 -1.289546 -2.012936
C -3.573295 -2.156719 -0.826910
C -2.890607 0.205067 -1.659764
C -3.832002 -3.624486 -1.235085
C -0.489697 0.419566 -0.896784
C -4.304091 -4.497169 -0.052196
C -2.352467 0.773275 0.684544
C 1.761011 0.754137 -0.089386
C 2.645438 0.033853 0.807871
C 4.069817 0.239253 0.658833
C 2.352125 1.623382 -1.030803
C 3.777416 1.773092 -1.095520
C 2.163951 -0.858429 1.814848
C 4.963400 -0.468186 1.524491
C 3.060564 -1.535774 2.648052
C 4.469482 -1.340333 2.499564
C -2.806861 1.399732 3.068064
C -3.913185 1.181876 2.272987
C 4.392295 2.729976 -2.098504
H -2.170594 -1.738018 -2.432967
H -3.853825 -1.325829 -2.822128
H -4.494530 -1.716236 -0.398224
H -2.815425 -2.128305 -0.018987
H -2.619710 0.799385 -2.554044
H -3.832800 0.611975 -1.260412
H -2.904667 -4.055463 -1.666200
H -4.592712 -3.652000 -2.042515
H -4.482695 -5.542077 -0.365644
H -3.549054 -4.510289 0.756086
H -5.245707 -4.106197 0.376873
H 1.722808 2.236563 -1.685749
H 1.082174 -0.986492 1.922030
H 0.845707 0.117118 -2.443467
H -0.816844 -0.177629 -2.904287
H 6.035838 -0.295007 1.391426
H 2.685339 -2.215659 3.421041
H 5.163353 -1.875485 3.157821
H 5.489579 2.659825 -2.046099
H 4.066283 2.502016 -3.130946
H 4.094359 3.774171 -1.884575
H -2.764055 1.675170 4.119804
H -4.951612 1.259887 2.597049


