%chk=000126745.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126745

0 1
 I  -0.7497000      -4.729900     -0.5823000    
 S   0.5559000       3.357300     -0.6441000    
 N   -1.789800       2.117100     -4.1200001E-02
 N    3.028300      -1.486600      0.1874000    
 N   -1.518000       4.380600      0.7421000    
 N    4.440900     -0.6499000       1.682900    
 C    2.440500       1.594800      -1.594800    
 C    3.049400      0.1879000      -1.656100    
 C   -2.908000       1.843100      0.8504000    
 C    1.217400       1.672300     -0.6815000    
 C  -0.8536000       3.100400      0.5046000    
 C   -3.826200      0.7704000      0.2637000    
 C    3.495600     -0.3263000     -0.3098000    
 C   -3.096000     -0.5337000      6.2899999E-02
 C   -2.457000     -0.7780000      -1.143200    
 C   -3.076400      -1.467200       1.088100    
 C    4.354200      0.1850000      0.5972000    
 C   -1.782000      -1.984600      -1.328300    
 C   -2.401400      -2.673800      0.9028000    
 C    3.630100      -1.646500       1.404600    
 C   -1.754200      -2.932400     -0.3054000    
 H    2.164800       1.892600      -2.614500    
 H    3.206500       2.302600      -1.251600    
 H    3.917000      0.2019000      -2.327300    
 H    2.319800     -0.5022000      -2.098500    
 H   -2.534700       1.508700       1.826500    
 H   -3.510700       2.743500       1.016500    
 H    1.474900       1.388800      0.3432000    
 H   0.4516000      0.9827000      -1.049800    
 H  -0.4386000       2.738100       1.451200    
 H   -4.253700       1.109400     -0.6892000    
 H   -4.682000      0.6149000      0.9330000    
 H   -2.139200       2.452900     -0.9379000    
 H    2.365100      -2.119600     -0.2409000    
 H   -2.476100     -5.0799999E-02  -1.949800    
 H   -3.575700      -1.274100       2.033300    
 H   -1.855400       4.746500     -0.1471000    
 H  -0.8314000       5.052700       1.081900    
 H    4.923700       1.101600      0.5494000    
 H   -1.284700      -2.166100      -2.277800    
 H   -2.391800      -3.398400       1.713100    
 H    3.435300      -2.503700       2.033200    


%chk=000126745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126745

0 1
I 0.107686 -4.392072 -0.250111
S 0.645547 3.466971 -0.135417
N -1.934159 2.467837 -0.042037
N 3.114716 -1.836842 0.339740
N -1.632858 4.674022 0.988649
N 4.965555 -0.880858 1.215214
C 1.973771 1.305616 -1.410712
C 2.369719 -0.196072 -1.479124
C -3.200411 2.008708 0.558569
C 1.132528 1.628506 -0.164245
C -1.095117 3.342700 0.753674
C -3.804316 0.823943 -0.241003
C 3.289128 -0.633331 -0.364076
C -2.914167 -0.409285 -0.258349
C -2.251416 -0.823902 -1.439094
C -2.713027 -1.170087 0.921866
C 4.440129 -0.063867 0.197168
C -1.399081 -1.953284 -1.451358
C -1.864748 -2.299996 0.936777
C 4.140484 -1.944596 1.274603
C -1.209859 -2.676145 -0.255534
H 1.397364 1.567635 -2.318620
H 2.889662 1.927449 -1.423521
H 2.852396 -0.384262 -2.459523
H 1.446508 -0.809609 -1.461297
H -2.980268 1.682383 1.594093
H -3.959644 2.819308 0.640306
H 1.690392 1.402263 0.759324
H 0.174779 1.077039 -0.173632
H -0.904112 2.868586 1.731754
H -4.009635 1.156708 -1.277413
H -4.785839 0.581590 0.212170
H -1.997294 2.749610 -1.027821
H 2.358407 -2.509552 0.187508
H -2.394036 -0.259836 -2.368202
H -3.222599 -0.882239 1.849667
H -1.807125 5.224182 0.140582
H -1.158616 5.211463 1.721299
H 4.919883 0.877532 -0.061771
H -0.903762 -2.258737 -2.377742
H -1.723373 -2.871347 1.858664
H 4.241505 -2.786130 1.955876


