%chk=000100783.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100783

0 1
 O    4.559900       1.712600      2.2000000E-03
 N   -1.763200      0.5382000      1.9999999E-04
 N   -1.205100      -1.634500      6.0000003E-04
 N   0.4661000       1.527100     -1.9999999E-04
 N    3.590100     -0.4361000     -6.0000003E-04
 C  -6.9899999E-02 -0.8631000      3.9999999E-04
 C  -0.3901000      0.4883000      1.9999999E-04
 C   -2.210500     -0.7814000      5.0000002E-04
 C    1.285900      -1.216400       0.000000    
 C    2.218000     -0.1798000     -3.0000001E-04
 C   -2.617500       1.636500     -9.9999997E-05
 C   -3.621600     -0.9892000      1.9999999E-04
 C   -4.464200      6.6799998E-02 -1.9999999E-04
 C   -3.944800       1.433400       0.000000    
 C    1.762100       1.133500     -3.9999999E-04
 C    1.729900      -2.643000      5.0000002E-04
 C   -5.954200     -8.6599998E-02 -1.0000000E-03
 C    4.642300      0.4886000     -8.9999998E-04
 C    5.986700     -0.1948000     -1.2000001E-03
 H   -2.177500       2.626300     -9.9999997E-05
 H   -3.995100      -2.007900       0.000000    
 H   -4.638500       2.266500     -1.9999999E-04
 H    2.413000       1.996500     -1.0000000E-03
 H    2.322800      -2.862600      0.8946000    
 H   0.8750000      -3.327400      7.9999998E-04
 H    2.322500      -2.863300     -0.8935000    
 H    3.861600      -1.415700     -8.9999998E-04
 H   -6.390100      0.3823000      0.8877000    
 H   -6.256000      -1.139600     -1.2000001E-03
 H   -6.389200      0.3824000     -0.8901000    
 H    6.094000     -0.7996000      0.9036000    
 H    6.783300      0.5540000     -2.4800001E-02
 H    6.077000     -0.8360000     -0.8827000    


%chk=000100783-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100783

0 1
O 4.661019 1.710544 -0.001687
N -1.797235 0.609411 -0.000654
N -1.192751 -1.636747 -0.000729
N 0.458323 1.617703 -0.001418
N 3.629119 -0.403875 -0.002117
C -0.050070 -0.822476 -0.001189
C -0.389487 0.571845 -0.001135
C -2.236411 -0.761979 -0.000391
C 1.321415 -1.175346 -0.001611
C 2.241422 -0.082936 -0.001848
C -2.674916 1.678504 -0.000421
C -3.643385 -0.998957 0.000175
C -4.545141 0.069110 0.000441
C -4.035647 1.424942 0.000129
C 1.779232 1.280275 -0.001766
C 1.742339 -2.629245 -0.001595
C -6.043404 -0.153654 0.001045
C 4.739962 0.449168 -0.001146
C 6.077037 -0.295858 0.002185
H -2.221706 2.672352 -0.000673
H -3.981126 -2.038667 0.000390
H -4.731952 2.268671 0.000321
H 2.505032 2.093682 -0.002089
H 2.339511 -2.891113 0.895001
H 0.842768 -3.264808 -0.001282
H 2.338993 -2.891291 -0.898483
H 3.841223 -1.404384 -0.002373
H -6.513088 0.307481 0.890661
H -6.296161 -1.226988 0.001249
H -6.513791 0.307309 -0.888289
H 6.189316 -0.914159 0.912255
H 6.888850 0.445020 -0.022198
H 6.173412 -0.957532 -0.878658


