%chk=000038451.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038451

0 1
 O   -2.202400      0.7394000      -1.048700    
 O   -4.098800       1.233300      0.3549000    
 O  -0.4155000      -1.473100     -0.5428000    
 O    4.087700      -1.012500      -1.720100    
 O   0.8367000     -8.8299997E-02  0.8141000    
 N    1.855700      -1.160400      -1.028700    
 C   -3.334300       1.613500     -0.8158000    
 C   -2.320900     -0.1363000     -1.2400000E-02
 C   -3.403500      0.1457000      0.7889000    
 C   -2.811400       3.034500     -0.6098000    
 C   -4.253700       1.546500      -2.034500    
 C   -1.514800      -1.189900      0.2748000    
 C    4.956200      0.7110000      0.2418000    
 C    3.494300      0.2592000      0.2192000    
 C   -3.706300     -0.6191000       1.896400    
 C    5.235000       1.632000       1.429100    
 C   -1.764900      -1.989500       1.365400    
 C   -2.871200      -1.701400       2.184100    
 C    3.193700     -0.6907000     -0.9326000    
 C    6.695100       2.052800       1.476700    
 C   0.7742000     -0.8342000     -0.1603000    
 C    1.569200      -2.072300      -2.139800    
 H   -2.152100       3.077000      0.2648000    
 H   -3.631300       3.738100     -0.4310000    
 H   -2.226500       3.371800      -1.471800    
 H   -5.127600       2.194400      -1.909600    
 H   -4.625900      0.5255000      -2.178100    
 H   -3.722200       1.828200      -2.949500    
 H    5.198500       1.229400     -0.6942000    
 H    5.612300     -0.1669000      0.2963000    
 H    2.852600       1.141500      0.1207000    
 H    3.267700     -0.2552000       1.159500    
 H   -4.560200     -0.3936000       2.525000    
 H    4.978900       1.121900       2.365000    
 H    4.603400       2.525600       1.363100    
 H   -1.125900      -2.834700       1.602400    
 H   -3.076900      -2.327600       3.048100    
 H    6.871900       2.712100       2.332200    
 H    7.351400       1.182500       1.577400    
 H    6.977400       2.593000      0.5674000    
 H    1.200900      -3.020200      -1.733900    
 H   0.7878000      -1.631400      -2.767300    
 H    2.445400      -2.273500      -2.760300    


%chk=000038451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038451

0 1
O -1.955738 0.642573 -0.892575
O -4.077479 1.165104 0.115093
O -0.387089 -1.844859 -0.217241
O 3.971810 -1.235312 -1.582414
O 0.681838 0.003479 0.771027
N 1.780573 -1.393379 -0.822698
C -2.966331 1.764712 -0.722423
C -2.315857 -0.332809 0.051653
C -3.567261 -0.043430 0.638655
C -2.306694 2.893878 0.064942
C -3.524040 2.124836 -2.089736
C -1.619966 -1.493283 0.405071
C 4.824473 0.854254 0.080592
C 3.364318 0.368520 0.156885
C -4.175589 -0.897663 1.563138
C 5.090737 2.022739 1.056065
C -2.206858 -2.379760 1.339722
C -3.467770 -2.083804 1.904115
C 3.091898 -0.782705 -0.803022
C 6.549706 2.523659 0.994599
C 0.715273 -0.963015 -0.017331
C 1.573112 -2.533273 -1.758604
H -1.917890 2.513188 1.023904
H -3.041119 3.692510 0.265442
H -1.465329 3.313322 -0.512204
H -4.296752 2.905334 -1.986451
H -3.973047 1.236966 -2.562386
H -2.716430 2.506956 -2.736669
H 5.058539 1.166647 -0.954915
H 5.509169 0.013978 0.304683
H 2.659770 1.194764 -0.058520
H 3.103297 0.056249 1.186499
H -5.148934 -0.661243 1.999640
H 4.853071 1.701659 2.091083
H 4.401004 2.860639 0.825826
H -1.662937 -3.288090 1.614133
H -3.906999 -2.779085 2.626027
H 6.722366 3.356382 1.700891
H 7.257573 1.712064 1.247919
H 6.802961 2.882338 -0.020856
H 1.343636 -3.453285 -1.198187
H 0.737407 -2.315337 -2.441080
H 2.507277 -2.658318 -2.324193


