%chk=000053502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053502

0 1
 O    3.192100       1.165100      -1.051100    
 O   -2.072800       1.933100      0.1711000    
 O    6.145700       1.171600      -1.494800    
 O  -0.5655000      -2.243900     -0.9874000    
 O   -2.810500      -2.195400     -0.5251000    
 N    4.482700     -0.3182000       1.459000    
 C    5.454200       1.198300     -0.2429000    
 C    5.219300     -0.2464000      0.2044000    
 C    4.223800      -1.702100       1.832400    
 C    4.163000       1.994900     -0.4176000    
 C  -0.3716000      0.5822000     -0.4491000    
 C   -1.559900     -0.1905000     -0.3675000    
 C  -0.7401000       1.879700     -0.1088000    
 C   -2.559900      0.6749000      1.2000000E-02
 C    1.884700       1.393100     -0.7384000    
 C   0.9729000      0.3290000     -0.7726000    
 C    3.037900      -2.250000       1.043500    
 C    3.967800      -1.783600       3.333900    
 C   0.1428000       2.957400     -6.6000000E-02
 C    1.474600       2.682800     -0.3909000    
 C   -3.967200      0.5333000      0.2660000    
 C   -1.726800      -1.592900     -0.6205000    
 C   -4.815900      8.2599998E-02 -0.7452000    
 C   -4.484900      0.8471000       1.522700    
 C   -6.182200     -5.4099999E-02 -0.4997000    
 C   -5.851300      0.7103000       1.768100    
 C   -6.699800      0.2596000      0.7568000    
 C  -0.6607000      -3.647500      -1.254800    
 C   0.7075000      -4.170600      -1.637300    
 H    6.110600       1.719700      0.4628000    
 H    6.199100     -0.7306000      0.3143000    
 H    4.715200     -0.7940000     -0.6003000    
 H    5.104200      -2.325900       1.629400    
 H    4.338500       2.878700      -1.041500    
 H    3.831600       2.306300      0.5814000    
 H    5.028300      0.1465000       2.184600    
 H    1.319400     -0.6601000      -1.053200    
 H    2.824000      -3.280800       1.348000    
 H    3.223900      -2.267500     -3.4100000E-02
 H    2.132000      -1.661900       1.226400    
 H    3.776300      -2.818400       3.638000    
 H    4.833800      -1.427500       3.903200    
 H    3.099200      -1.182800       3.626900    
 H  -0.1850000       3.956000      0.1972000    
 H    2.162600       3.524300     -0.3906000    
 H    5.556900      0.7595000      -2.150100    
 H   -4.433100     -0.1590000      -1.734000    
 H   -3.837800       1.197800       2.323200    
 H   -6.843300     -0.4031000      -1.287600    
 H   -6.254500      0.9542000       2.746600    
 H   -7.763600      0.1533000      0.9478000    
 H   -1.020000      -4.165500     -0.3589000    
 H   -1.364200      -3.812300      -2.078100    
 H    1.419600      -4.017600     -0.8210000    
 H    1.098200      -3.631300      -2.506400    
 H   0.6661000      -5.237900      -1.871600    


%chk=000053502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053502

0 1
O 2.824565 0.477481 -0.454321
O -2.531539 1.602032 0.496044
O 5.124544 0.443276 -1.985307
O -1.069734 -2.125743 -1.824632
O -3.384102 -2.182881 -1.744269
N 5.847431 -0.321727 1.643299
C 5.206269 0.692195 -0.539140
C 5.515412 -0.614773 0.231034
C 5.685257 -1.444286 2.612334
C 3.926398 1.369595 -0.033487
C -0.846121 0.282647 -0.383532
C -2.141124 -0.337358 -0.694886
C -1.138970 1.465498 0.346136
C -3.148284 0.495675 -0.143959
C 1.501665 0.854593 -0.158570
C 0.508340 -0.028522 -0.640736
C 4.191858 -1.668065 2.937697
C 6.479639 -1.109456 3.891186
C -0.176321 2.351947 0.834641
C 1.174730 2.033904 0.573293
C -4.614880 0.542072 -0.049410
C -2.310796 -1.592474 -1.442140
C -5.469156 -0.448396 -0.615978
C -5.213254 1.640243 0.646103
C -6.869111 -0.336910 -0.487178
C -6.610803 1.740274 0.768208
C -7.450538 0.751290 0.201715
C -1.132463 -3.404772 -2.594013
C 0.305883 -3.790067 -2.925928
H 6.048868 1.398689 -0.419495
H 6.323693 -1.147995 -0.319057
H 4.618249 -1.258848 0.202256
H 6.095541 -2.395422 2.189052
H 3.793487 2.362814 -0.504880
H 3.961655 1.450830 1.069579
H 6.786164 0.094410 1.723183
H 0.790542 -0.921936 -1.196485
H 4.066541 -2.542976 3.602409
H 3.594542 -1.848978 2.026101
H 3.778722 -0.775693 3.441801
H 6.356088 -1.904461 4.647432
H 7.561828 -1.007588 3.679971
H 6.118207 -0.158018 4.323509
H -0.454726 3.249541 1.392769
H 1.959688 2.699456 0.940634
H 4.229102 0.048493 -2.156753
H -5.029261 -1.293817 -1.149633
H -4.571124 2.407555 1.085071
H -7.507611 -1.109037 -0.930412
H -7.047064 2.590023 1.304769
H -8.539387 0.829849 0.296666
H -1.641043 -4.161481 -1.969667
H -1.746615 -3.238221 -3.497258
H 0.899499 -3.936030 -2.006952
H 0.792639 -3.012233 -3.539171
H 0.314880 -4.736323 -3.497044


