%chk=000124077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124077

0 1
 S  -0.6380000     -0.1869000      -1.619500    
 N   -4.186000     -0.1172000      0.3362000    
 N    3.329600      8.0899999E-02  0.6830000    
 C   -3.244000     -0.1818000     -0.7772000    
 C   -1.815800     -0.1086000     -0.2514000    
 C   -5.562600     -0.2224000     -0.1489000    
 C   -4.005600       1.123600       1.090600    
 C   0.9374000     -8.0499999E-02 -0.7046000    
 C    1.563500      -1.250900     -0.2639000    
 C    1.508600       1.170600     -0.4509000    
 C    2.775100      -1.121700      0.4359000    
 C    2.722300       1.205100      0.2562000    
 C   -5.770900      -1.505300     -0.9356000    
 C   -4.935500       1.176600       2.290900    
 C    1.012200      -2.521400     -0.5051000    
 C   0.9014000       2.362900     -0.8822000    
 C    3.403300      -2.283300      0.8772000    
 C    3.296000       2.447700      0.5120000    
 C    1.660100      -3.667100     -5.3300001E-02
 C    1.495400       3.592500     -0.6136000    
 C    2.858200      -3.547400      0.6392000    
 C    2.695200       3.634500      8.5000001E-02
 H   -3.432300      0.6255000      -1.498100    
 H   -3.332400      -1.135000      -1.309400    
 H   -1.617500     -0.9261000      0.4503000    
 H   -1.597000      0.8378000      0.2451000    
 H   -6.263800     -0.2732000      0.6904000    
 H   -5.846800      0.6385000     -0.7671000    
 H   -3.007500       1.184600       1.531100    
 H   -4.150900       2.013000      0.4649000    
 H   -5.335100      -1.457900      -1.938500    
 H   -5.367100      -2.377200     -0.4093000    
 H   -6.844300      -1.678600      -1.073500    
 H   -5.971900       1.385700       2.008400    
 H   -4.904700      0.2476000       2.870800    
 H   -4.626600       1.988200       2.959700    
 H   8.1000000E-02  -2.676200      -1.040600    
 H  -3.3799998E-02   2.391800      -1.432200    
 H    4.343100      -2.215800       1.422300    
 H    4.236100       2.507000       1.057600    
 H    1.232800      -4.647400     -0.2408000    
 H    1.025000       4.512200     -0.9476000    
 H    3.372000      -4.435100      0.9962000    
 H    3.167300       4.588700      0.2999000    


%chk=000124077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124077

0 1
S -0.669380 0.574949 -1.747667
N -4.324245 0.060903 0.191673
N 3.344998 -0.126605 0.663441
C -3.337181 0.180512 -0.907402
C -1.918333 0.279396 -0.319322
C -5.422202 -0.903714 -0.077760
C -4.789986 1.377163 0.705016
C 0.901590 0.298709 -0.809133
C 1.307756 -1.023874 -0.461517
C 1.722047 1.408446 -0.449950
C 2.548806 -1.179726 0.300584
C 2.955678 1.132373 0.292669
C -4.961664 -2.371950 -0.001803
C -5.220106 1.330316 2.183717
C 0.571774 -2.208315 -0.819213
C 1.407756 2.777312 -0.768087
C 2.967779 -2.500889 0.690822
C 3.806350 2.231810 0.667843
C 1.012177 -3.469171 -0.428572
C 2.256447 3.812480 -0.387851
C 2.217587 -3.618492 0.341492
C 3.469005 3.539199 0.335761
H -3.543568 1.061484 -1.561506
H -3.394240 -0.713301 -1.554429
H -1.641850 -0.654949 0.193227
H -1.821038 1.124215 0.381632
H -6.203006 -0.741341 0.687271
H -5.904543 -0.708432 -1.068902
H -3.951132 2.091440 0.605647
H -5.624684 1.783077 0.079383
H -4.185694 -2.600335 -0.755329
H -4.540715 -2.586641 0.995712
H -5.813490 -3.053614 -0.183546
H -6.073869 0.647215 2.344244
H -4.382173 0.979935 2.810924
H -5.527533 2.335308 2.528363
H -0.329528 -2.091472 -1.431002
H 0.484737 2.978954 -1.321156
H 3.896517 -2.578355 1.264232
H 4.718980 1.987385 1.219828
H 0.443518 -4.360330 -0.716421
H 2.002307 4.847904 -0.640447
H 2.545986 -4.619534 0.642048
H 4.123862 4.368557 0.625089


