%chk=000001065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001065

0 1
 O  -0.4127000     -0.7919000      -2.741800    
 O    3.672200       2.645900      3.2499999E-02
 N   -2.692000      0.3886000      -1.476200    
 N    2.564000      -2.732700      0.6697000    
 C   -2.684600       1.154300       1.007600    
 C   -1.653600     -0.3607000     -0.7199000    
 C   -1.575100      0.1180000      0.7466000    
 C   -4.061600      0.5687000      0.6178000    
 C   -2.409000       2.337600      6.3400000E-02
 C   -4.007200      9.2399999E-02 -0.8538000    
 C   -2.457800       1.847300      -1.391500    
 C  -0.2867000     -0.3112000      -1.407300    
 C   -4.508300     -0.5213000       1.545100    
 C   0.7407000      -1.133900     -0.6715000    
 C   -5.616200     -0.4615000       2.291700    
 C    1.915500     -0.5700000     -0.1726000    
 C   0.4712000      -2.479600     -0.5072000    
 C    2.815300      -1.420300      0.5037000    
 C    2.209600      0.7953000     -0.3274000    
 C    1.411200      -3.231800      0.1675000    
 C    3.989600     -0.8655000       1.005000    
 C    3.391400       1.323700      0.1843000    
 C    4.282300      0.4919000      0.8511000    
 C    4.901900       3.116700      0.5831000    
 H   -2.667600       1.486000       2.051800    
 H   -1.991300      -1.405900     -0.7201000    
 H  -0.6124000      0.5889000      0.9763000    
 H   -1.675500     -0.7355000       1.426600    
 H   -4.791600       1.389900      0.6696000    
 H   -1.424700       2.770300      0.2794000    
 H   -3.151700       3.129000      0.2187000    
 H   -4.224400     -0.9798000     -0.9485000    
 H   -4.797100      0.5924000      -1.430100    
 H   -3.259600       2.372400      -1.927100    
 H   -1.542900       2.133500      -1.921200    
 H   9.9999998E-03  0.7260000      -1.518900    
 H   -3.906300      -1.424600       1.601700    
 H   -1.113400     -0.2759000      -3.176200    
 H   -5.889000      -1.289900       2.936400    
 H   -6.266700      0.4058000       2.275700    
 H  -0.4200000      -2.957300     -0.8964000    
 H    1.561500       1.501400     -0.8314000    
 H    1.263200      -4.294900      0.3263000    
 H    4.703200      -1.497000       1.531400    
 H    5.221400      0.8291000       1.276600    
 H    4.961800       4.189100      0.3704000    
 H    5.764900       2.645700      0.1005000    
 H    4.923600       3.004700       1.672500    


%chk=000001065-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001065

0 1
O -0.824880 -1.074160 -2.806005
O 3.423599 2.590974 0.539745
N -2.737707 0.220614 -1.482188
N 2.696662 -2.990602 0.295248
C -2.655480 1.541688 0.746483
C -1.575587 -0.262459 -0.646089
C -1.397334 0.636914 0.614602
C -3.978398 0.700839 0.689282
C -2.661929 2.531159 -0.450374
C -3.996543 -0.032016 -0.718562
C -2.625434 1.689203 -1.774508
C -0.339823 -0.414236 -1.592835
C -4.116135 -0.274657 1.836724
C 0.756866 -1.257554 -0.957469
C -5.101465 -0.251369 2.768876
C 1.891510 -0.685016 -0.266448
C 0.660804 -2.651450 -1.022392
C 2.831463 -1.608580 0.352408
C 2.151159 0.716125 -0.166975
C 1.640838 -3.474235 -0.387495
C 3.962644 -1.085845 1.052207
C 3.275170 1.194008 0.519612
C 4.192063 0.287254 1.144699
C 4.595848 3.147596 1.220051
H -2.619898 2.095259 1.701659
H -1.850149 -1.291726 -0.341747
H -0.502653 1.281149 0.529483
H -1.250629 0.017403 1.516503
H -4.824820 1.414481 0.737879
H -1.783665 3.200481 -0.386765
H -3.565279 3.168904 -0.411090
H -4.108849 -1.123318 -0.588963
H -4.847093 0.320753 -1.328586
H -3.460828 1.954323 -2.446265
H -1.692917 1.859213 -2.339614
H 0.052904 0.592226 -1.850770
H -3.353813 -1.068754 1.892109
H -1.795932 -0.793696 -2.845551
H -5.152307 -0.993799 3.573116
H -5.887948 0.514294 2.753476
H -0.158363 -3.102246 -1.589680
H 1.498020 1.453833 -0.641497
H 1.557112 -4.566475 -0.438125
H 4.645045 -1.810184 1.507291
H 5.069546 0.657374 1.683058
H 4.507487 4.236651 1.093758
H 5.537676 2.795204 0.756804
H 4.594942 2.897856 2.298823


