%chk=000039546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039546

0 1
 O    1.008800      -1.199700     -0.9846000    
 N   -3.337000      0.6033000      7.6300003E-02
 C    1.686000     -5.1300000E-02   1.062800    
 C    3.828800     -0.6320000      0.7772000    
 C    3.343600     -0.4650000     -0.7055000    
 C    1.813700     -0.1105000     -0.5021000    
 C    2.596600      -1.218400       1.479700    
 C    2.470000       1.149000       1.648800    
 C    3.934100      0.7199000       1.503900    
 C   0.2746000     -0.1530000       1.619100    
 C    1.307700       1.136100      -1.232300    
 C    4.156100      0.5944000      -1.472200    
 C    3.557500      -1.801000      -1.456900    
 C  -0.1106000       1.365100     -0.9513000    
 C   -1.274100       1.561300     -0.7265000    
 C   -2.693300       1.805500     -0.4527000    
 C   -3.238300     -0.5000000     -0.8896000    
 C   -4.737500      0.8809000      0.4243000    
 C   -3.863600      -1.779600     -0.3316000    
 C   -5.411900     -0.3533000       1.025000    
 C   -5.311100      -1.551700      8.8200003E-02
 H    4.735100      -1.235000      0.8783000    
 H    2.278000      -2.189800       1.091000    
 H    2.724500      -1.302800       2.565400    
 H    2.236600       1.294100       2.711000    
 H    2.266000       2.096600       1.145400    
 H    4.546800       1.464500      0.9920000    
 H    4.375100      0.5779000       2.498600    
 H   0.3069000     -0.4823000       2.665100    
 H  -0.2338000      0.8137000       1.632200    
 H  -0.3416000     -0.8814000       1.084000    
 H    1.419500       1.000900      -2.315600    
 H    1.872200       2.034300     -0.9692000    
 H    5.226500      0.3608000      -1.437200    
 H    3.861800      0.6251000      -2.527500    
 H    4.032300       1.605500      -1.076900    
 H    3.183900      -1.740300      -2.485200    
 H    4.624700      -2.046700      -1.511300    
 H    3.063800      -2.646800     -0.9683000    
 H    1.044600      -1.199000      -1.956100    
 H   -2.765300       2.615600      0.2835000    
 H   -3.193000       2.154800      -1.365300    
 H   -2.195800     -0.7432000      -1.121900    
 H   -3.729500     -0.2358000      -1.835800    
 H   -5.300800       1.214900     -0.4572000    
 H   -4.783500       1.688300       1.165200    
 H   -3.282100      -2.126200      0.5323000    
 H   -3.819000      -2.573300      -1.085900    
 H   -6.465400     -0.1350000       1.233700    
 H   -4.939900     -0.5991000       1.984800    
 H   -5.926800      -1.373400     -0.8020000    
 H   -5.706100      -2.447700      0.5793000    


%chk=000039546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039546

0 1
O 1.016624 -1.173582 -1.060478
N -3.473963 0.714851 -0.153364
C 1.691211 -0.276912 1.080904
C 3.909014 -0.761122 0.696756
C 3.416765 -0.331350 -0.738024
C 1.833071 -0.081162 -0.478442
C 2.664957 -1.482683 1.278857
C 2.481268 0.858555 1.819888
C 3.991296 0.467466 1.646100
C 0.262798 -0.474857 1.604317
C 1.325545 1.266584 -1.082241
C 4.192843 0.892599 -1.291512
C 3.649750 -1.500628 -1.731766
C -0.132780 1.462046 -1.035907
C -1.355738 1.621659 -1.034816
C -2.824030 1.749650 -1.005556
C -3.200679 -0.665385 -0.633491
C -4.929826 0.974588 -0.022851
C -3.792595 -1.705707 0.337105
C -5.575801 -0.017444 0.965469
C -5.309216 -1.477006 0.530596
H 4.840499 -1.352731 0.652006
H 2.343824 -2.374198 0.717032
H 2.785595 -1.748977 2.345088
H 2.186982 0.862272 2.885436
H 2.249453 1.865188 1.428518
H 4.614775 1.288414 1.253948
H 4.432217 0.158551 2.612044
H 0.294949 -0.752398 2.675533
H -0.345576 0.440293 1.504742
H -0.249778 -1.277683 1.048855
H 1.652192 1.306490 -2.143447
H 1.830988 2.115127 -0.586559
H 5.278960 0.684018 -1.257497
H 3.932417 1.091565 -2.348185
H 4.020166 1.821494 -0.722617
H 3.247751 -1.272547 -2.739093
H 4.736483 -1.669773 -1.850965
H 3.186084 -2.437959 -1.385574
H 1.043484 -1.102836 -2.047746
H -3.100905 2.742576 -0.598530
H -3.210831 1.717296 -2.060091
H -2.106826 -0.792836 -0.714417
H -3.637881 -0.823375 -1.657369
H -5.448774 0.891428 -1.017169
H -5.069737 2.012813 0.335230
H -3.273610 -1.614599 1.310966
H -3.596917 -2.723122 -0.053005
H -6.663432 0.180956 1.027581
H -5.143777 0.153449 1.970347
H -5.834583 -1.675872 -0.427085
H -5.718907 -2.183984 1.276876


