%chk=000027016.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027016

0 1
 O   -2.898400      -1.200500      -1.022100    
 O   -4.281000      0.6047000      0.7502000    
 N    3.475600       1.377800     -0.2751000    
 C    2.124300      0.9642000      0.1267000    
 C    1.058100       1.611100     -0.7989000    
 C  -0.3482000       1.323200     -0.3930000    
 C    2.017400     -0.5502000      0.1814000    
 C   -1.003200      0.1994000     -0.8974000    
 C   -1.004700       2.176100      0.4948000    
 C   -2.315600     -7.1000002E-02 -0.5094000    
 C    4.460600      0.8799000      0.6808000    
 C    3.547500       2.832300     -0.3808000    
 C    1.211300      -1.130600       1.141000    
 C    2.729500      -1.305000     -0.7303000    
 C   -2.982000      0.7978000      0.3582000    
 C   -2.321800       1.914000      0.8726000    
 C   -4.082700      -1.561600     -0.3059000    
 C   -4.955000     -0.3412000     -8.4399998E-02
 C    1.113400      -2.521200       1.191200    
 C    2.631500      -2.695500     -0.6801000    
 C    1.823400      -3.303600      0.2806000    
 H    1.942300       1.342700       1.145200    
 H    1.140300       2.703100     -0.8257000    
 H    1.211000       1.280700      -1.836100    
 H  -0.4985000     -0.4696000      -1.590300    
 H  -0.5012000       3.050400      0.8993000    
 H    5.464300       1.213300      0.3889000    
 H    4.534300     -0.2093000      0.7327000    
 H    4.274500       1.255700       1.694500    
 H    3.070300       3.199600      -1.294900    
 H    4.591800       3.156400     -0.4755000    
 H    3.128500       3.346000      0.4923000    
 H   0.6597000     -0.5333000       1.860800    
 H    3.343600     -0.8616000      -1.508000    
 H   -2.828100       2.587800       1.558400    
 H   -3.789600      -2.026800      0.6434000    
 H   -4.617400      -2.308000     -0.9016000    
 H   -5.212800      0.1486000      -1.031600    
 H   -5.885000     -0.6249000      0.4180000    
 H   0.4849000      -2.994600       1.939800    
 H    3.178900      -3.304800      -1.393300    
 H    1.745900      -4.386300      0.3185000    


%chk=000027016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027016

0 1
O -3.021140 -1.100757 -1.349225
O -4.315261 0.385572 0.822694
N 3.552173 1.437137 -0.247390
C 2.170606 1.070403 0.191013
C 1.095323 1.633747 -0.799879
C -0.330488 1.294409 -0.392829
C 2.034946 -0.451428 0.300361
C -1.049942 0.269213 -1.047655
C -0.961418 1.991057 0.673721
C -2.363164 -0.055360 -0.655356
C 4.571419 0.978335 0.725964
C 3.742213 2.870799 -0.558253
C 1.401758 -1.046002 1.417446
C 2.497518 -1.285889 -0.748988
C -2.989068 0.658062 0.402579
C -2.278512 1.677742 1.067224
C -4.212594 -1.603769 -0.633583
C -5.071039 -0.429802 -0.151443
C 1.229316 -2.447894 1.488634
C 2.329972 -2.686045 -0.680496
C 1.692581 -3.273310 0.438905
H 1.952498 1.513863 1.199647
H 1.196452 2.733492 -0.845566
H 1.321207 1.235849 -1.806587
H -0.593447 -0.308997 -1.857786
H -0.424100 2.794997 1.190711
H 5.580350 1.185614 0.326940
H 4.480457 -0.108262 0.884164
H 4.480608 1.481793 1.722005
H 3.154986 3.168078 -1.442126
H 4.806876 3.040439 -0.798267
H 3.471977 3.550526 0.290418
H 1.035570 -0.408535 2.231713
H 3.011490 -0.823152 -1.599431
H -2.779273 2.219731 1.875843
H -3.888520 -2.221806 0.226535
H -4.752600 -2.230022 -1.361818
H -5.368809 0.205693 -1.008411
H -5.968480 -0.776218 0.386148
H 0.736423 -2.893140 2.360601
H 2.696485 -3.320620 -1.495988
H 1.562352 -4.360343 0.492711


