%chk=000005010.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005010

0 1
 O  -1.3400000E-02  -2.166600      0.1065000    
 O   -1.381400      -3.872200      0.4335000    
 O   -2.195600      -1.733600      0.7096000    
 O   -2.828100       2.646200       2.364700    
 N    2.090300      0.8896000     -0.3480000    
 N   -2.237100       1.045000      -2.893700    
 C    3.831100     -0.3561000       1.129200    
 C    1.741300     -0.5529000     -0.2544000    
 C    2.658900      -1.282100      0.7515000    
 C    4.478800      0.1403000     -0.1862000    
 C    3.221400      0.8408000       1.880500    
 C    3.443900       1.003000     -0.9496000    
 C    2.149400       1.501100      0.9995000    
 C   0.2613000     -0.7697000      6.7400001E-02
 C    5.759700      0.8842000      4.3099999E-02
 C  -0.6367000     -0.1097000     -0.9487000    
 C    6.946000      0.4976000     -0.4383000    
 C   -1.572100      0.8594000     -0.5848000    
 C  -0.4949000     -0.5039000      -2.265700    
 C   -1.290300      -2.513000      0.4443000    
 C   -2.365700       1.420900      -1.607100    
 C   -1.732600       1.275700      0.7477000    
 C   -1.315900      0.1015000      -3.195400    
 C   -3.301300       2.389100      -1.252800    
 C   -2.675900       2.245800       1.073700    
 C   -3.461200       2.802900      7.1999997E-02
 C   -2.666000      -4.408300      0.7674000    
 C   -2.599800      -5.919600      0.7101000    
 C   -3.814400       3.644700       2.623900    
 H    4.551200     -0.8866000       1.762000    
 H    1.945700      -1.015400      -1.230400    
 H    3.043500      -2.205100      0.3002000    
 H    2.119800      -1.571900       1.661900    
 H    4.693400     -0.7461000     -0.8010000    
 H    3.991700       1.569400       2.154300    
 H    2.765000      0.4976000       2.817200    
 H    3.400800      0.6800000      -1.998100    
 H    3.736400       2.060800     -0.9888000    
 H    1.176500       1.458800       1.497400    
 H    2.365200       2.572900      0.9024000    
 H   0.1085000     -0.4271000       1.089500    
 H    5.722900       1.802400      0.6234000    
 H    7.052800     -0.4039000      -1.031200    
 H    7.836000       1.085600     -0.2423000    
 H   0.2063000      -1.266300      -2.583800    
 H   -1.160800      0.8795000       1.577300    
 H   -1.259000     -0.1659000      -4.245400    
 H   -3.928000       2.840400      -2.020000    
 H   -4.215800       3.562100      0.2473000    
 H   -3.411000      -4.042800      5.1800001E-02
 H   -2.944000      -4.087700       1.777600    
 H   -1.845700      -6.299000       1.407500    
 H   -2.305100      -6.254700     -0.2899000    
 H   -3.567500      -6.363200      0.9605000    
 H   -4.820700       3.289200       2.377600    
 H   -3.799200       3.842300       3.700700    
 H   -3.573300       4.587800       2.121800    


%chk=000005010-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005010

0 1
O -0.079660 -2.266474 -0.129328
O -1.190741 -4.154362 0.276987
O -1.843184 -2.214262 1.430070
O -2.745531 3.043455 2.247949
N 1.951369 0.895279 -0.207870
N -2.335841 1.231311 -3.066797
C 3.694699 -0.441036 1.180813
C 1.600880 -0.561267 -0.224768
C 2.499769 -1.353851 0.786597
C 4.367723 0.092303 -0.132460
C 3.141828 0.740460 2.024357
C 3.304106 1.048140 -0.820846
C 2.003094 1.430252 1.191099
C 0.087750 -0.775489 0.011131
C 5.683171 0.794693 0.100903
C -0.796853 -0.074564 -1.008394
C 6.872172 0.436828 -0.447273
C -1.653340 1.036897 -0.664139
C -0.769077 -0.500783 -2.340399
C -1.116605 -2.815675 0.606408
C -2.396040 1.663831 -1.747991
C -1.822157 1.544213 0.658043
C -1.549476 0.170746 -3.330179
C -3.241956 2.778791 -1.459632
C -2.663193 2.636412 0.906679
C -3.379182 3.269737 -0.161474
C -2.260508 -4.918823 0.996943
C -2.178583 -6.353351 0.489854
C -3.633477 4.161755 2.574976
H 4.434101 -1.016890 1.765695
H 1.810391 -0.910531 -1.254513
H 2.849857 -2.298578 0.334468
H 1.926269 -1.623528 1.695554
H 4.553663 -0.780744 -0.790561
H 3.946908 1.456383 2.272513
H 2.748730 0.355370 2.983921
H 3.236291 0.834820 -1.902367
H 3.605292 2.105955 -0.709492
H 1.016249 1.285889 1.662725
H 2.161414 2.520896 1.118798
H -0.195715 -0.512212 1.043729
H 5.649017 1.679762 0.757085
H 6.959155 -0.432282 -1.112118
H 7.791464 0.999785 -0.250001
H -0.156062 -1.360028 -2.630743
H -1.327311 1.085217 1.517473
H -1.523015 -0.166717 -4.373142
H -3.779720 3.227599 -2.300232
H -4.034130 4.124495 0.030882
H -3.233067 -4.443556 0.776087
H -2.072575 -4.840161 2.083010
H -1.189806 -6.792165 0.705961
H -2.348664 -6.396414 -0.599202
H -2.950028 -6.968352 0.988054
H -4.684771 3.934664 2.311944
H -3.544427 4.285667 3.664221
H -3.315368 5.093694 2.068393


