%chk=000040512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040512

0 1
 O    3.957600      6.8899997E-02  0.3807000    
 O   -2.693200       2.741100      -1.049700    
 O    4.950900      -1.387500      -1.112500    
 N   -2.136900       1.016400      2.9700000E-02
 N   -2.920000       2.078500     -3.0200001E-02
 C  -0.8203000       1.266600      0.6044000    
 C   0.2347000      0.4090000     -9.2200004E-02
 C   -2.788600     -9.3999997E-02  0.7387000    
 C   -3.699900     -0.8687000     -0.2118000    
 C    1.621700      0.6495000      0.5014000    
 C   -4.372000      -2.042600      0.5012000    
 C    2.688600     -0.1692000     -0.2135000    
 C   -5.308100      -2.797600     -0.4290000    
 C    5.009900     -0.6091000     -0.1703000    
 C    6.275700     -0.2614000      0.5530000    
 H  -0.8072000       1.109400       1.692000    
 H  -0.5225000       2.315700      0.4570000    
 H  -1.2600000E-02 -0.6555000     -1.8000000E-03
 H   0.2510000      0.6438000      -1.164300    
 H   -3.341900      0.2525000       1.623500    
 H   -2.042900     -0.8087000       1.112800    
 H   -3.117300      -1.244400      -1.062800    
 H   -4.475100     -0.2075000     -0.6189000    
 H    1.884100       1.713100      0.4416000    
 H    1.626300      0.3988000       1.569500    
 H   -4.942100      -1.677900       1.363600    
 H   -3.610500      -2.732400      0.8834000    
 H    2.725700      0.1129000      -1.272600    
 H    2.449500      -1.236800     -0.1387000    
 H   -4.764400      -3.202100      -1.288800    
 H   -5.776000      -3.633200      0.1007000    
 H   -6.103100      -2.143800     -0.8014000    
 H    6.472300      0.8098000      0.4614000    
 H    7.110900     -0.8086000      0.1065000    
 H    6.192800     -0.5495000       1.604000    


%chk=000040512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040512

0 1
O 3.758656 -0.113157 0.186186
O -1.711959 3.321671 -0.369480
O 4.623980 -1.044188 -1.767420
N -2.346513 1.361081 0.527975
N -2.689844 2.499373 -0.181771
C -0.976474 1.156149 1.046894
C 0.019261 0.643946 -0.022854
C -3.447400 0.411585 0.774628
C -3.253231 -0.964911 0.098751
C 1.441553 0.504052 0.566648
C -4.455344 -1.901613 0.359736
C 2.427478 -0.010082 -0.482698
C -4.274926 -3.290113 -0.290486
C 4.793071 -0.648824 -0.591455
C 6.098639 -0.647328 0.173987
H -1.041051 0.447538 1.892517
H -0.620601 2.134397 1.424719
H -0.326391 -0.331456 -0.416727
H 0.026917 1.358301 -0.866620
H -4.360310 0.900590 0.390221
H -3.569075 0.273144 1.868550
H -2.329574 -1.447435 0.477396
H -3.120368 -0.820195 -0.991241
H 1.790969 1.484044 0.943755
H 1.435052 -0.192672 1.427714
H -5.379714 -1.427602 -0.027506
H -4.599400 -2.020962 1.453247
H 2.518754 0.678944 -1.342779
H 2.148003 -1.007288 -0.870381
H -3.375323 -3.799629 0.102988
H -5.145243 -3.941813 -0.093376
H -4.159393 -3.203221 -1.386963
H 6.677665 0.254749 -0.096547
H 6.695461 -1.527836 -0.111135
H 5.923775 -0.633740 1.260125


