%chk=000052381.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052381

0 1
 O    2.253900     -9.5299996E-02  0.1722000    
 O  -0.9083000       1.423600     -0.3515000    
 O    1.726800      -1.464100      -1.632300    
 O  -0.3454000      0.6753000       1.774200    
 N   -2.069900      -1.319600      0.2166000    
 N  -0.8450000      -1.600600     -0.2960000    
 C   4.5800000E-02 -0.6676000     -0.1485000    
 C    3.645100     -0.1306000     -0.1570000    
 C   -1.402000       2.659400      0.1731000    
 C    1.456400     -0.8004000     -0.6516000    
 C  -0.4269000      0.5653000      0.5669000    
 C   -2.515800      -2.256900       1.253600    
 C   -3.119600      -1.203800     -0.7990000    
 C    4.411200      0.7011000      0.8495000    
 C   -1.906200       3.514000     -0.9702000    
 H    4.001400      -1.166400     -0.1294000    
 H    3.793200      0.2770000      -1.163400    
 H   -2.220300       2.457600      0.8736000    
 H  -0.5948000       3.182000      0.6986000    
 H   -1.773900      -2.307900       2.058400    
 H   -2.653800      -3.268000      0.8544000    
 H   -3.455300      -1.923100       1.707400    
 H   -2.838800     -0.4604000      -1.553500    
 H   -4.060700     -0.8628000     -0.3538000    
 H   -3.295300      -2.156200      -1.311900    
 H    5.481800      0.6964000      0.6269000    
 H    4.053600       1.736100      0.8459000    
 H    4.258900      0.3159000       1.863200    
 H   -2.292900       4.469100     -0.6038000    
 H   -1.103100       3.709500      -1.688400    
 H   -2.701700       2.996200      -1.516100    


%chk=000052381-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052381

0 1
O 1.827256 0.163567 0.178213
O -0.605994 1.492957 -0.489491
O 1.607274 -1.926612 -0.839698
O -1.401971 0.863490 1.608631
N -2.302847 -2.129729 0.475989
N -0.997625 -1.966759 0.231812
C -0.347959 -0.801037 0.141674
C 3.274154 0.148686 -0.178037
C -0.865301 2.923075 -0.139513
C 1.086068 -0.952146 -0.249726
C -0.841807 0.563222 0.519629
C -2.746659 -3.533583 0.559076
C -3.329516 -1.068238 0.555937
C 3.867317 1.455677 0.339464
C -0.389444 3.755363 -1.325627
H 3.739902 -0.739989 0.285924
H 3.364284 0.046990 -1.275190
H -1.946220 3.044508 0.058740
H -0.316575 3.154143 0.791414
H -1.862281 -4.171202 0.422589
H -3.490319 -3.757274 -0.229400
H -3.201718 -3.740724 1.545634
H -3.245237 -0.484122 1.489139
H -4.321397 -1.543303 0.494148
H -3.214462 -0.371547 -0.296661
H 4.946827 1.497472 0.105090
H 3.374896 2.324135 -0.131616
H 3.744925 1.537140 1.433148
H -0.558829 4.828987 -1.124100
H 0.687947 3.598463 -1.504460
H -0.936293 3.483189 -2.244632


