%chk=000040524.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040524

0 1
 O   0.3089000      -2.330800     -0.1563000    
 N   -4.586700      0.2721000     -0.6134000    
 C   0.2579000      3.3799998E-02  0.4784000    
 C    1.984000     -0.8713000      -1.144700    
 C    1.921600       1.594600     -0.6371000    
 C    2.712600     -3.0999999E-02   1.118300    
 C   0.5324000      -1.009000     -0.6406000    
 C   0.4809000       1.447000     -0.1176000    
 C    1.269700     -0.1755000       1.633200    
 C    2.181300      0.5387000      -1.724600    
 C    2.969800      -1.077200      2.1800000E-02
 C    2.901800       1.376100      0.5274000    
 C   -1.173700     -9.2399999E-02   1.012800    
 C   -2.194600      0.1642000     -8.9800000E-02
 C   -3.617600      4.8000002E-03  0.4427000    
 C   -5.948200      0.1559000     -0.1105000    
 H    2.185000      -1.628300      -1.911800    
 H    2.063400       2.597700      -1.054800    
 H    3.416500     -0.1802000       1.944600    
 H  -0.1286000     -0.8670000      -1.500800    
 H   0.2779000       2.217000      0.6376000    
 H  -0.1848000       1.643900     -0.9642000    
 H    1.136500      -1.151700       2.113200    
 H    1.093800      0.5708000       2.419700    
 H    1.501400      0.6956000      -2.570900    
 H    3.201600      0.6449000      -2.113200    
 H    3.998900     -0.9780000     -0.3467000    
 H    2.892200      -2.089500      0.4333000    
 H    3.933700       1.499400      0.1763000    
 H    2.737200       2.133900       1.303200    
 H   -1.334700      -1.087500       1.445700    
 H   -1.331900      0.6275000       1.826400    
 H   -2.107000       1.180500     -0.4854000    
 H   -2.069800     -0.5330000     -0.9233000    
 H   0.8802000      -2.508400      0.6056000    
 H   -3.752000      -1.012600      0.8301000    
 H   -3.770100      0.7039000       1.274200    
 H   -4.450500     -0.3876000      -1.378800    
 H   -6.139200      0.8790000      0.6891000    
 H   -6.154800     -0.8530000      0.2614000    
 H   -6.654400      0.3672000     -0.9195000    


%chk=000040524-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040524

0 1
O 0.217089 -2.324219 -0.368686
N -4.747383 0.092526 -0.555469
C 0.281622 0.083399 0.416033
C 2.075460 -0.834466 -1.166258
C 2.055774 1.636759 -0.598258
C 2.738201 -0.060565 1.155965
C 0.589839 -0.938982 -0.725969
C 0.577326 1.509938 -0.143850
C 1.258296 -0.178339 1.605716
C 2.335540 0.595259 -1.715042
C 3.018940 -1.100660 0.038274
C 2.996352 1.368524 0.606868
C -1.181509 -0.038930 0.925584
C -2.291912 0.068690 -0.143145
C -3.699032 0.053134 0.485326
C -6.127187 0.092461 -0.036847
H 2.253024 -1.586070 -1.959733
H 2.233551 2.657939 -0.989751
H 3.404022 -0.252382 2.020809
H -0.059341 -0.729300 -1.595715
H 0.354550 2.258785 0.643980
H -0.093448 1.731594 -0.997371
H 1.068456 -1.181620 2.044440
H 1.047343 0.553568 2.411560
H 1.683603 0.791408 -2.590042
H 3.384316 0.677662 -2.063792
H 4.073068 -1.031512 -0.295299
H 2.887145 -2.132154 0.428858
H 4.055015 1.470654 0.293834
H 2.815703 2.118206 1.403482
H -1.290164 -1.014248 1.441264
H -1.339815 0.747759 1.694975
H -2.192062 0.995974 -0.738264
H -2.206026 -0.784342 -0.846291
H 0.797502 -2.626722 0.374950
H -3.791182 -0.840104 1.158194
H -3.826406 0.946729 1.130299
H -4.599163 -0.645514 -1.257287
H -6.304622 1.020075 0.539521
H -6.368664 -0.768385 0.636128
H -6.843224 0.081971 -0.877991


