%chk=000050576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050576

0 1
 O    8.187200     -0.8580000      0.5257000    
 O    8.156300       1.126000     -0.4135000    
 N   -4.125600     -1.4900000E-02  0.1438000    
 N    1.447100      0.2820000      0.5879000    
 N    1.984000     -0.1959000     -0.4391000    
 N   -6.631700       4.117800     -0.4311000    
 N    7.566400      0.1016000      7.4999998E-03
 C   -4.856000      -1.173900      0.5974000    
 C   -4.836300      -2.274200     -0.4602000    
 C   -4.871500       1.092400     -0.4573000    
 C   -5.639300      -3.508700     -4.2300001E-02
 C   -2.729900      6.0600001E-02  0.2564000    
 C   -5.277000       2.112700      0.6011000    
 C   -5.655200      -4.559100      -1.142100    
 C   -2.010900     -0.9935000      0.8296000    
 C   -2.044800       1.189400     -0.2050000    
 C  -0.6223000     -0.9197000      0.9403000    
 C  -0.6562000       1.263300     -9.4499998E-02
 C   5.4900002E-02  0.2088000      0.4782000    
 C   -6.034000       3.232900      2.3000000E-02
 C    3.383100     -0.1219000     -0.3285000    
 C    4.087100      -1.177300      0.2427000    
 C    4.053700       1.006800     -0.7895000    
 C    6.153100      2.5599999E-02 -0.1064000    
 C    5.475600      -1.103400      0.3540000    
 C    5.442200       1.080700     -0.6782000    
 H   -4.506700      -1.537100       1.571000    
 H   -5.903100     -0.8961000      0.7799000    
 H   -5.248900      -1.878900      -1.397800    
 H   -3.807900      -2.578100     -0.6868000    
 H   -4.361600       1.547600      -1.313800    
 H   -5.790500      0.6878000     -0.9065000    
 H   -6.670200      -3.219800      0.1926000    
 H   -5.206600      -3.941000      0.8672000    
 H   -4.389800       2.506700       1.110200    
 H   -5.884100       1.626900       1.374600    
 H   -6.113000      -4.165000      -2.054900    
 H   -6.231800      -5.432900     -0.8228000    
 H   -4.640000      -4.891100      -1.382000    
 H   -2.478400      -1.897800       1.204300    
 H   -2.534200       2.052700     -0.6414000    
 H  -7.6200001E-02  -1.746300       1.387600    
 H  -0.1368000       2.148400     -0.4528000    
 H    3.566800      -2.060500      0.6035000    
 H    3.507000       1.832900      -1.236500    
 H    5.996500      -1.944300      0.8050000    
 H    5.936300       1.975600      -1.047700    


%chk=000050576-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050576

0 1
O 8.331482 1.457982 -0.183667
O 8.586710 -0.810933 -0.189528
N -4.193446 -0.099746 0.321591
N 1.440460 0.573521 0.112229
N 2.203010 -0.503286 0.081465
N -6.962142 3.765002 1.607789
N 7.853768 0.255356 -0.160167
C -4.842426 -1.430195 0.400880
C -5.050459 -2.107008 -0.976241
C -5.086075 1.065968 0.282601
C -5.740874 -3.484160 -0.849720
C -2.805406 0.043688 0.269019
C -5.294454 1.689989 1.703897
C -5.959820 -4.162924 -2.218777
C -1.942332 -1.108496 0.234144
C -2.184909 1.338443 0.248545
C -0.554546 -0.974301 0.187566
C -0.792131 1.463916 0.194327
C 0.053312 0.319194 0.165286
C -6.212144 2.838762 1.669458
C 3.600902 -0.219530 0.023690
C 4.173433 1.088558 -0.005783
C 4.449551 -1.361832 -0.007768
C 6.387394 0.090234 -0.096153
C 5.565011 1.244475 -0.065644
C 5.844932 -1.215547 -0.067637
H -4.257106 -2.091136 1.067004
H -5.826768 -1.296466 0.889536
H -5.660851 -1.442501 -1.620417
H -4.073186 -2.223406 -1.483764
H -4.698818 1.834782 -0.408277
H -6.065574 0.748464 -0.114455
H -6.717132 -3.363084 -0.337014
H -5.128741 -4.145477 -0.202711
H -4.321273 2.009607 2.119525
H -5.701513 0.921974 2.388150
H -6.598115 -3.540696 -2.873366
H -6.450081 -5.146546 -2.105632
H -4.998360 -4.322713 -2.741509
H -2.370587 -2.114111 0.232195
H -2.787882 2.250087 0.274165
H 0.094666 -1.854772 0.158618
H -0.320678 2.452114 0.177658
H 3.504403 1.953031 0.018867
H 3.982796 -2.351272 0.015528
H 6.035208 2.231191 -0.089808
H 6.517595 -2.076399 -0.092894


