%chk=000063223.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063223

0 1
 O    1.689300      -1.419300       2.381600    
 N   -4.291400     -0.7744000      0.1316000    
 N   0.9434000      0.2960000      0.9733000    
 N    1.952100      0.5953000      -1.159100    
 C   -5.849800      -1.145300      -1.566400    
 C   -4.481100     -0.8965000      -2.192700    
 C   -5.568100      -1.448700     -0.1024000    
 C   -3.485800      -1.064700      -1.054100    
 C   -3.648600      -1.213200       1.361300    
 C   0.1801000       2.105600     -0.5596000    
 C    1.087100      0.9368000     -0.2558000    
 C   0.8142000       3.403900     -9.0599999E-02
 C   -2.374200     -0.5175000       1.562600    
 C  -5.8699999E-02  0.7430000       1.939800    
 C  -3.0200001E-02   4.633100     -0.4355000    
 C    1.750400     -0.7968000       1.325000    
 C    2.743500      -1.200200      0.3068000    
 C    2.801500     -0.4864000     -0.8930000    
 C   -1.329000      4.9899999E-02   1.731500    
 C   0.6692000       5.920000     -2.5599999E-02
 C    3.607000      -2.276100      0.5423000    
 C    3.739600     -0.8652000      -1.860000    
 C    4.536500      -2.641700     -0.4303000    
 C    4.603000      -1.937500      -1.630600    
 H   -6.471400     -0.2476000      -1.665500    
 H   -6.374800      -1.972700      -2.054400    
 H   -4.276800      -1.594700      -3.010700    
 H   -4.439500      0.1205000      -2.600300    
 H   -6.361900      -1.068100      0.5480000    
 H   -5.488100      -2.534000      4.1700002E-02
 H   -3.105200      -2.094500      -1.047800    
 H   -2.640400     -0.3798000      -1.176300    
 H   -4.304500     -0.9934000       2.212300    
 H   -3.478900      -2.297500       1.360800    
 H  -0.8226000       1.978600     -0.1465000    
 H   4.7699999E-02   2.147800      -1.648900    
 H    1.000700       3.382000      0.9890000    
 H    1.802200       3.508600     -0.5587000    
 H  -0.2007000       1.823900       1.911000    
 H   0.3043000      0.5193000       2.950200    
 H   -1.000300       4.569000      7.0600003E-02
 H  -0.2261000       4.659500      -1.513700    
 H    1.628100       6.027700     -0.5425000    
 H   0.8556000       5.938500       1.052900    
 H   4.8300002E-02   6.785300     -0.2780000    
 H    3.570700      -2.837900       1.471400    
 H    3.803500     -0.3247000      -2.801500    
 H    5.208800      -3.476000     -0.2525000    
 H    5.327000      -2.222600      -2.388300    


%chk=000063223-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063223

0 1
O 2.134912 -1.332917 2.648987
N -4.284409 -0.566374 0.096226
N 1.160068 0.114259 1.069186
N 2.016434 0.347096 -1.168052
C -5.991894 -0.611564 -1.579186
C -4.588318 -0.427780 -2.254707
C -5.677510 -1.040691 -0.120326
C -3.572845 -0.870458 -1.173291
C -3.656943 -1.123222 1.315551
C 0.131474 1.758604 -0.545746
C 1.145319 0.679757 -0.222776
C 0.630899 3.180493 -0.156255
C -2.322819 -0.557454 1.587764
C 0.129861 0.462780 2.097582
C -0.386951 4.276488 -0.545208
C 2.140786 -0.857568 1.472682
C 3.103802 -1.220008 0.421564
C 3.004261 -0.606754 -0.868274
C -1.198379 -0.107264 1.818740
C 0.100294 5.694894 -0.179895
C 4.120445 -2.175455 0.685542
C 3.935900 -0.969999 -1.880806
C 5.033226 -2.522527 -0.323149
C 4.937253 -1.916058 -1.609001
H -6.553681 0.337463 -1.595976
H -6.604946 -1.372697 -2.092420
H -4.481385 -1.023393 -3.177683
H -4.426648 0.631971 -2.514860
H -6.360788 -0.590907 0.622384
H -5.751046 -2.155620 -0.024267
H -3.352657 -1.965831 -1.266617
H -2.613290 -0.327822 -1.221795
H -4.320991 -0.903420 2.174844
H -3.565149 -2.241519 1.261200
H -0.844649 1.555938 -0.069681
H -0.014025 1.728546 -1.639107
H 0.831626 3.238687 0.933663
H 1.596567 3.368474 -0.664693
H 0.070336 1.561401 2.189146
H 0.523811 0.055967 3.047862
H -1.355301 4.073357 -0.044433
H -0.581105 4.218764 -1.635330
H 1.051828 5.931846 -0.691739
H 0.272505 5.788896 0.908929
H -0.640227 6.461907 -0.471418
H 4.164605 -2.622720 1.683892
H 3.843703 -0.490799 -2.860080
H 5.819292 -3.258576 -0.124303
H 5.652449 -2.190892 -2.392273


