%chk=000064059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064059

0 1
 O    5.270400      0.2810000     -2.9700000E-02
 O  -0.7467000       1.817000     -0.6812000    
 N  -0.2573000     -0.3557000      9.3199998E-02
 N   -2.046900      -1.880800      0.4844000    
 C    1.152500     -0.1939000      6.3000001E-02
 C    3.096000       1.205300      0.3274000    
 C    3.349800      -1.115500     -0.2939000    
 C    1.964400      -1.275300     -0.2629000    
 C    1.710800       1.045500      0.3585000    
 C    3.915600      0.1248000      1.3000000E-03
 C   -2.543200      0.4399000     -0.1332000    
 C   -1.091000      0.7214000     -0.2471000    
 C   -2.958500     -0.8502000      0.2152000    
 C  -0.7868000      -1.594200      0.4221000    
 C    3.683400       2.540700      0.6459000    
 C    4.211000      -2.284000     -0.6440000    
 C   -3.482300       1.446600     -0.3876000    
 C   -4.329200      -1.119000      0.3063000    
 C   -4.844300       1.163800     -0.2918000    
 C   -5.267800     -0.1174000      5.4099999E-02
 H    1.552300      -2.239400     -0.5463000    
 H    1.106200       1.888400      0.6783000    
 H  -7.1599998E-02  -2.383000      0.6886000    
 H    4.319100       2.473200       1.534900    
 H    4.281400       2.904300     -0.1964000    
 H    2.912400       3.292000      0.8474000    
 H    4.791100      -2.078400      -1.549800    
 H    4.889000      -2.525200      0.1815000    
 H    3.615800      -3.182500     -0.8416000    
 H   -3.174400       2.452300     -0.6601000    
 H   -4.674900      -2.113900      0.5770000    
 H   -5.575400       1.942700     -0.4879000    
 H   -6.328800     -0.3372000      0.1283000    
 H    5.716100     -0.5444000     -0.2746000    


%chk=000064059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064059

0 1
O 5.332432 0.283038 -0.050412
O -0.710990 1.777250 -0.888484
N -0.293762 -0.261056 0.235413
N -2.091871 -1.702798 0.996797
C 1.148107 -0.117049 0.134901
C 3.184156 1.206639 0.483665
C 3.321905 -1.103230 -0.437367
C 1.913510 -1.193416 -0.365273
C 1.782136 1.074748 0.553014
C 3.935430 0.104493 -0.007444
C -2.604132 0.406698 -0.213153
C -1.169068 0.737353 -0.335652
C -3.021025 -0.800348 0.437753
C -0.815493 -1.397686 0.875527
C 3.890420 2.473433 0.914924
C 4.162529 -2.248821 -0.973524
C -3.573773 1.291495 -0.754840
C -4.407934 -1.098162 0.535034
C -4.940399 0.984201 -0.653635
C -5.355957 -0.214385 -0.006243
H 1.412498 -2.099854 -0.723629
H 1.179978 1.910764 0.917336
H -0.064986 -2.060433 1.317620
H 4.604126 2.273064 1.735076
H 4.483829 2.896566 0.084039
H 3.167582 3.234285 1.252640
H 4.744750 -1.955910 -1.870914
H 4.875450 -2.635512 -0.217033
H 3.523892 -3.096108 -1.271861
H -3.222885 2.204670 -1.246469
H -4.701253 -2.023836 1.039072
H -5.688701 1.665788 -1.071584
H -6.423577 -0.447993 0.070480
H 5.781274 -0.518988 -0.416474


