%chk=000035539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035539

0 1
 S   -1.153100      -2.707500       1.113900    
 N    1.379200      0.7934000      1.3000000E-03
 N    1.168500      -1.544300      0.4998000    
 N  -0.7693000     -0.1299000      0.5393000    
 C  -0.5442000       2.175500      4.4900000E-02
 C    3.281700     -0.6171000     -3.4100000E-02
 C   5.7399999E-02  0.8693000      0.2044000    
 C    1.866700     -0.4468000      0.1666000    
 C  -0.1426000      -1.310300      0.6698000    
 C   0.1990000       3.323800      0.3184000    
 C   -1.867200       2.286400     -0.3826000    
 C    4.163600      0.4347000      0.2347000    
 C    3.786100      -1.835800     -0.4995000    
 C  -0.3810000       4.583100      0.1644000    
 C   -2.447200       3.545600     -0.5366000    
 C    5.535100      0.2696000      4.0399998E-02
 C    5.157500      -2.001000     -0.6938000    
 C   -2.718100      -2.256500      0.3781000    
 C   -1.703900       4.694000     -0.2631000    
 C    6.031900     -0.9482000     -0.4238000    
 C   -3.004600      -2.638400     -0.9299000    
 C   -3.645000      -1.525200       1.116300    
 C   -4.226400      -2.286600      -1.503800    
 C   -4.866800      -1.173500      0.5425000    
 C   -5.157400      -1.554300     -0.7676000    
 H    1.229100       3.270500      0.6624000    
 H   -2.469700       1.411100     -0.6134000    
 H    3.809300       1.393300      0.6066000    
 H    3.130500      -2.672800     -0.7283000    
 H   0.1967000       5.477400      0.3793000    
 H   -3.476800       3.632400     -0.8716000    
 H    6.216400       1.088400      0.2525000    
 H    5.544600      -2.948400      -1.057400    
 H   -2.155500       5.674400     -0.3830000    
 H    7.099700      -1.076900     -0.5752000    
 H   -2.290900      -3.209000      -1.518800    
 H   -3.435900      -1.219500       2.138400    
 H   -4.452500      -2.582700      -2.524000    
 H   -5.591600     -0.6026000       1.115400    
 H   -6.108500      -1.279900      -1.214500    


%chk=000035539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035539

0 1
S -1.084581 -2.992646 -0.046746
N 1.454115 0.770108 -0.069195
N 1.236872 -1.642137 -0.013832
N -0.743585 -0.249163 -0.109458
C -0.545564 2.190048 -0.161493
C 3.467037 -0.630736 0.024512
C 0.085922 0.851019 -0.111624
C 1.992659 -0.492897 -0.021393
C -0.109844 -1.446275 -0.059716
C 0.257740 3.362111 -0.164324
C -1.961372 2.307928 -0.205951
C 4.295125 0.524058 0.018924
C 4.061490 -1.920709 0.074099
C -0.347705 4.634048 -0.210770
C -2.561881 3.582273 -0.252592
C 5.697367 0.388744 0.062508
C 5.464081 -2.051014 0.117514
C -2.813822 -2.344858 -0.135111
C -1.758302 4.748193 -0.255146
C 6.286025 -0.898025 0.111861
C -3.447056 -2.234170 -1.392111
C -3.503124 -2.026561 1.055286
C -4.788727 -1.791298 -1.457537
C -4.843743 -1.582610 0.983131
C -5.486888 -1.464598 -0.271549
H 1.345334 3.250220 -0.129965
H -2.562450 1.393368 -0.202718
H 3.819058 1.508079 -0.019705
H 3.407112 -2.797395 0.077524
H 0.274791 5.535518 -0.212601
H -3.653331 3.669511 -0.286964
H 6.332544 1.281321 0.058078
H 5.918233 -3.047138 0.155591
H -2.227495 5.738001 -0.291444
H 7.376564 -1.001455 0.145459
H -2.897460 -2.485927 -2.304584
H -2.997606 -2.120198 2.021486
H -5.283563 -1.702820 -2.430846
H -5.382224 -1.332587 1.903810
H -6.526948 -1.123632 -0.324010


