%chk=000054433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054433

0 1
 O   -2.794800      0.7273000      0.9680000    
 O   -5.149000     -0.6646000       2.166400    
 O    3.690600      0.5604000     -9.1100000E-02
 O    1.823700     -0.3422000      0.8733000    
 N   -3.250400      -1.915500     -0.7561000    
 N    1.720100       1.592100     -0.4491000    
 C   -3.759000      -1.844600      0.6070000    
 C   -4.733200     -0.6797000      0.7978000    
 C   -2.283900      -2.996300     -0.8957000    
 C   -4.124400      0.6794000      0.4595000    
 C  -0.9243000      -2.563600     -0.3544000    
 C   -2.185500      -3.403000      -2.362600    
 C   -1.898100       1.494500      0.2737000    
 C    5.934800     -0.2818000      8.6800002E-02
 C    6.835100      -1.372300      0.6607000    
 C    4.481000     -0.4833000      0.4900000    
 C  -0.5458000       1.152300      0.2660000    
 C   0.3674000       1.934300     -0.4411000    
 C   -2.336900       2.618700     -0.4257000    
 C    8.278900      -1.191700      0.2203000    
 C  -7.1500003E-02   3.058400      -1.140600    
 C   -1.423700       3.400800      -1.132900    
 C    2.348800      0.5203000      0.1798000    
 H   -4.287600      -2.773400      0.8609000    
 H   -2.951300      -1.761600       1.343400    
 H   -5.639100     -0.8314000      0.2003000    
 H   -2.619200      -3.885000     -0.3451000    
 H   -4.035900      -2.060900      -1.390000    
 H   -4.709600       1.486800      0.9144000    
 H   -4.138600      0.7831000     -0.6332000    
 H  -0.1892000      -3.365000     -0.4899000    
 H  -0.5472000      -1.682900     -0.8856000    
 H  -0.9515000      -2.333900      0.7146000    
 H   -1.467100      -4.220100      -2.490100    
 H   -3.152300      -3.751700      -2.742700    
 H   -1.856000      -2.567100      -2.990400    
 H   -4.366000     -0.4772000       2.712200    
 H    6.272600      0.7066000      0.4226000    
 H    6.007100     -0.2667000      -1.008000    
 H    6.482100      -2.357400      0.3341000    
 H    6.786800      -1.356800       1.755700    
 H    4.383900     -0.4453000       1.581200    
 H    4.119900      -1.452700      0.1273000    
 H  -0.2726000      0.2740000      0.8343000    
 H   -3.375100       2.937000     -0.4218000    
 H    8.673900     -0.2277000      0.5567000    
 H    8.906100      -1.982400      0.6438000    
 H    8.365300      -1.237100     -0.8700000    
 H   0.6293000       3.677600      -1.694600    
 H   -1.764000       4.280100      -1.672100    
 H    2.329500       2.205600     -0.9848000    


%chk=000054433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054433

0 1
O -2.179667 0.192938 0.605316
O -3.787495 -0.680787 2.694405
O 4.441857 0.819544 0.245595
O 2.570214 -0.352587 1.071493
N -4.680014 -2.298140 -0.605085
N 2.388509 1.549644 -0.339380
C -4.004696 -2.154849 0.704490
C -4.265167 -0.751827 1.306324
C -4.128229 -3.329212 -1.530805
C -3.641898 0.363710 0.458988
C -2.810344 -2.836700 -2.168358
C -5.182989 -3.630240 -2.615170
C -1.332587 1.089273 -0.064054
C 6.768880 0.307689 0.704705
C 7.789713 -0.636220 1.384223
C 5.329454 -0.140447 0.958489
C 0.048755 0.862162 0.139708
C 0.984954 1.711000 -0.492123
C -1.795614 2.145351 -0.886572
C 9.248869 -0.194494 1.141975
C 0.539324 2.779739 -1.320826
C -0.839770 2.982110 -1.507047
C 3.060789 0.582376 0.390993
H -4.322193 -2.910131 1.458608
H -2.916518 -2.275183 0.559369
H -5.354886 -0.574409 1.373318
H -3.914209 -4.281106 -0.982782
H -5.695317 -2.422887 -0.485968
H -3.934085 1.360270 0.843049
H -3.941529 0.238571 -0.598701
H -2.374869 -3.622715 -2.813018
H -3.001224 -1.937239 -2.781472
H -2.057414 -2.571828 -1.404695
H -4.796369 -4.364871 -3.343315
H -6.109741 -4.045730 -2.173710
H -5.442228 -2.703057 -3.159325
H -2.799431 -0.585588 2.654220
H 6.902617 1.339571 1.082968
H 6.955176 0.336641 -0.386250
H 7.647374 -1.668438 1.004778
H 7.590377 -0.673667 2.474354
H 5.072122 -0.129720 2.034027
H 5.135549 -1.156912 0.567536
H 0.379663 0.039577 0.776113
H -2.862297 2.318630 -1.047985
H 9.427720 0.820660 1.543195
H 9.963277 -0.881849 1.630257
H 9.483051 -0.174392 0.061067
H 1.266348 3.438291 -1.810594
H -1.181351 3.803933 -2.145748
H 2.991641 2.217944 -0.823380


