%chk=000063855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063855

0 1
 S    1.094100      -1.606400      0.3916000    
 O  -0.8153000      -3.265600      0.9011000    
 N   -1.505000      -1.208100     -1.7800000E-02
 N   -2.696000       1.790600     -3.1300001E-02
 N   -3.700800     -0.9910000     -0.8812000    
 N    4.283100     -8.8799998E-02 -6.7400001E-02
 N  -6.6100001E-02  0.6656000      0.6339000    
 N    1.266600      0.8927000      0.9303000    
 C   -2.527700     -0.4919000     -0.6362000    
 C   -2.295800      0.9254000      -1.118300    
 C   -2.973900      -3.145400      2.9899999E-02
 C   -1.648800      -2.563200      0.3349000    
 C   -3.949700      -2.327200     -0.5440000    
 C  -0.2848000     -0.5930000      0.3379000    
 C   -2.669800       3.173200     -0.1017000    
 C   -3.250600      -4.483600      0.3336000    
 C   -5.212800      -2.867800     -0.8126000    
 C   -3.069500       3.978600      0.9833000    
 C    3.432100     -0.3062000       1.096400    
 C    1.981100     -0.2087000      0.8416000    
 C    5.654300     -0.2210000     -3.5100002E-02
 C   -4.512700      -5.008400      5.9500001E-02
 C   -5.493600      -4.201400     -0.5122000    
 C   -2.236400       3.814500      -1.278600    
 C    6.454000     -4.1999999E-03  -1.179300    
 C   -3.036700       5.370300      0.8943000    
 C   -3.537800       3.348300       2.254500    
 C   -2.203400       5.206000      -1.367500    
 C   -2.603600       5.983900     -0.2812000    
 C    6.309700     -0.5829000       1.161900    
 C    7.841200     -0.1427000      -1.128000    
 C    5.815300      0.3810000      -2.474000    
 C    7.696800     -0.7213000       1.213200    
 C    8.462400     -0.5013000      6.8400003E-02
 H   -1.260300       1.083600      -1.430200    
 H   -2.938400       1.095200      -1.991400    
 H   -3.000800       1.362100      0.8350000    
 H   -2.500800      -5.128700      0.7830000    
 H   -5.987200      -2.251200      -1.262700    
 H    3.685700      0.4380000       1.862700    
 H    3.646200      -1.291300       1.531300    
 H   -4.731700      -6.046200      0.2932000    
 H    3.836200      0.1843000     -0.9345000    
 H   -1.915100       3.251000      -2.150600    
 H   -6.477000      -4.610000     -0.7257000    
 H   -3.344800       5.991800       1.730900    
 H   -4.423300       2.729700       2.074200    
 H   -3.815700       4.099400       3.002200    
 H   -2.745100       2.733500       2.693800    
 H   -1.866300       5.684500      -2.282400    
 H   -2.577900       7.067400     -0.3507000    
 H    5.761700     -0.7605000       2.083400    
 H    8.453200      2.5000000E-02  -2.010200    
 H    5.281500       1.331700      -2.371900    
 H    5.118500     -0.3960000      -2.805700    
 H    6.556800      0.5106000      -3.270200    
 H    8.181400     -0.9991000       2.144700    
 H    9.542400     -0.6088000      0.1086000    


%chk=000063855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063855

0 1
S 1.618288 -1.113620 -0.007068
O -0.464231 -2.765268 0.028935
N -1.144189 -0.574657 -0.558521
N -2.049860 2.615711 -0.359443
N -3.365495 -0.203186 -1.457568
N 4.715658 -0.326776 -0.035100
N 0.316287 1.219274 0.166784
N 1.648393 1.518515 0.503895
C -2.165349 0.257857 -1.171239
C -1.888771 1.726186 -1.503476
C -2.763780 -2.446985 -0.630879
C -1.395022 -2.002184 -0.356964
C -3.718058 -1.528026 -1.160833
C 0.113398 -0.065413 -0.149141
C -3.261641 3.169197 0.080715
C -3.131607 -3.795165 -0.375525
C -5.042494 -1.967110 -1.423968
C -3.231204 4.054715 1.212736
C 3.892111 0.488055 0.858574
C 2.445448 0.453050 0.454914
C 6.058744 -0.641349 0.255219
C -4.445827 -4.217053 -0.633852
C -5.401033 -3.299277 -1.157334
C -4.502758 2.902946 -0.566119
C 6.806779 -1.414668 -0.694120
C -4.436567 4.654174 1.636543
C -1.920376 4.341824 1.922628
C -5.687845 3.526513 -0.121760
C -5.666916 4.409070 0.980495
C 6.676419 -0.229277 1.468665
C 8.143683 -1.748570 -0.389714
C 6.156529 -1.869221 -1.988006
C 8.012283 -0.589381 1.748912
C 8.756974 -1.349631 0.822374
H -0.871303 1.847116 -1.909039
H -2.609361 1.989520 -2.294318
H -1.219172 2.653006 0.237690
H -2.375786 -4.477983 0.024874
H -5.756463 -1.245389 -1.830927
H 4.202304 1.555186 0.902183
H 3.982442 0.087158 1.889048
H -4.738519 -5.252646 -0.433072
H 4.431719 -0.358131 -1.015027
H -4.548039 2.180158 -1.386210
H -6.423932 -3.636824 -1.355607
H -4.407706 5.332907 2.498350
H -1.463032 3.422904 2.343395
H -2.072001 5.044259 2.759327
H -1.172041 4.790219 1.238790
H -6.632060 3.308323 -0.634642
H -6.586362 4.890855 1.329468
H 6.128574 0.383155 2.191786
H 8.713742 -2.341132 -1.116008
H 5.850883 -1.014924 -2.628531
H 5.250426 -2.478037 -1.796565
H 6.852415 -2.482902 -2.583563
H 8.469631 -0.264411 2.690341
H 9.794773 -1.626652 1.034199


