%chk=000051241.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051241

0 1
 S    3.409500      -3.313900     -0.3392000    
 N    1.513800       1.185900      0.5741000    
 N  -0.1436000     -0.4487000      5.0200000E-02
 N    2.127800      -1.010100      1.4400000E-02
 N   -3.611300       1.880600     -0.3583000    
 N   0.8484000      -2.963100     -0.3583000    
 C    2.944700       1.463800      0.7660000    
 C    3.139500       2.935800       1.121400    
 C    3.662400       1.344700     -0.5764000    
 C    3.008500       3.673300     -0.2098000    
 C    3.354600       2.656100      -1.297700    
 C    3.486800      0.5113000       1.820500    
 C    1.168100     -2.6100000E-02  0.2647000    
 C   -1.327900      0.3133000     -8.1200004E-02
 C   -2.595100     -0.2520000      0.1187000    
 C    1.998300      -2.353800     -0.2193000    
 C   -1.208300       1.654500     -0.4175000    
 C   -3.725000      0.5791000     -3.2099999E-02
 C   -2.370800       2.387600     -0.5425000    
 C   -2.750700      -1.606200      0.4599000    
 C   -4.982900      1.6600000E-02  0.1666000    
 C   -4.020600      -2.142400      0.6529000    
 C   -2.289900       3.833800     -0.9025000    
 C   -5.137900      -1.329700      0.5059000    
 C    2.413600      -4.685200     -0.6016000    
 C    1.087900      -4.305400     -0.5789000    
 H    4.144900       3.111000       1.524700    
 H    2.413100       3.300600       1.855100    
 H    3.400900      0.5351000      -1.259000    
 H    4.747200       1.285500     -0.4145000    
 H    1.981200       4.030100     -0.3488000    
 H    3.665500       4.548100     -0.2467000    
 H    4.205500       2.985100      -1.903100    
 H    2.499600       2.532800      -1.972900    
 H    2.719200     -5.4299999E-02   2.360900    
 H    4.251800     -0.1790000       1.447700    
 H    4.006300       1.080600       2.603100    
 H  -0.2840000      -1.444000     -6.4400002E-02
 H    3.103000     -0.7630000      4.8900001E-02
 H  -0.2643000       2.138100     -0.6320000    
 H   -1.910700      -2.278900      0.6003000    
 H   -5.874000      0.6322000      5.7700001E-02
 H   -4.137500      -3.188400      0.9197000    
 H   -1.713400       4.381800     -0.1505000    
 H   -1.811800       3.956700      -1.879500    
 H   -3.287300       4.282500     -0.9560000    
 H   -6.132400      -1.739600      0.6554000    
 H    2.830400      -5.670100     -0.7555000    
 H   0.2493000      -4.974200     -0.7181000    


%chk=000051241-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051241

0 1
S 3.252977 -3.680325 -0.134913
N 1.529713 1.226576 0.279838
N -0.164360 -0.447347 0.089700
N 2.104571 -1.124771 0.058113
N -3.799826 1.822874 0.299697
N 0.650926 -3.047484 -0.116308
C 2.944700 1.687478 0.397008
C 2.936604 3.252878 0.263015
C 3.864378 1.211688 -0.809406
C 3.401417 3.561955 -1.177336
C 4.499482 2.495445 -1.406548
C 3.520010 1.284151 1.785121
C 1.162462 -0.019706 0.154013
C -1.337504 0.326476 0.160506
C -2.612878 -0.368711 0.060162
C 1.853340 -2.476630 -0.056893
C -1.350275 1.720562 0.321148
C -3.811549 0.440197 0.136954
C -2.594806 2.427226 0.387203
C -2.750103 -1.784648 -0.109084
C -5.090606 -0.195397 0.042312
C -4.014258 -2.377661 -0.199111
C -2.587654 3.932573 0.565312
C -5.195351 -1.578558 -0.122939
C 2.002650 -4.981168 -0.253392
C 0.734659 -4.441418 -0.224088
H 3.656817 3.689922 0.981607
H 1.934115 3.642580 0.502004
H 3.233728 0.737254 -1.585680
H 4.638403 0.481771 -0.493685
H 2.569405 3.407169 -1.891035
H 3.768585 4.596148 -1.300977
H 5.413682 2.774501 -0.847090
H 4.780488 2.370587 -2.467509
H 2.927968 1.760485 2.586731
H 3.496367 0.192457 1.963279
H 4.566824 1.626100 1.880988
H -0.268733 -1.476564 -0.011372
H 3.081368 -0.830552 0.042773
H -0.401252 2.251715 0.394227
H -1.866685 -2.430525 -0.171500
H -5.971581 0.450914 0.104897
H -4.099477 -3.462416 -0.329178
H -2.077945 4.219563 1.504528
H -2.047638 4.429084 -0.262996
H -3.622609 4.306785 0.592265
H -6.180315 -2.053113 -0.194729
H 2.309014 -6.020645 -0.335032
H -0.186844 -5.020976 -0.280102


