%chk=000099612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099612

0 1
 O    4.642900     -0.8163000     -8.9999998E-04
 O    4.270500       1.347100     -8.9999998E-04
 N  -0.8734000       1.578200      7.9999998E-04
 N    3.858500      0.1624000     -3.9999999E-04
 C  -0.3002000     -0.5767000      6.0000003E-04
 C   -1.728100     -0.4814000      1.9999999E-04
 C   0.2039000      0.7240000      7.9999998E-04
 C   -2.055000      0.8749000      1.9999999E-04
 C   0.6114000      -1.653500      7.9999998E-04
 C    1.575200       1.004400      6.9999998E-04
 C   -2.774900      -1.427200     -9.9999997E-05
 C   -3.376700       1.335200     -5.0000002E-04
 C    2.458100     -7.8699999E-02  1.9999999E-04
 C    1.985500      -1.388900      1.9999999E-04
 C   -4.101700     -0.9823000     -6.9999998E-04
 C   -4.395900      0.3790000     -1.0000000E-03
 H  -0.8061000       2.586500      1.0000000E-03
 H   0.2576000      -2.680700      6.9999998E-04
 H    1.911500       2.036500      6.0000003E-04
 H   -2.561600      -2.492500       0.000000    
 H   -3.606500       2.395500     -6.0000003E-04
 H    2.659500      -2.242700     -9.9999997E-05
 H   -4.910400      -1.708300     -8.9999998E-04
 H   -5.433100      0.7040000     -1.5000000E-03


%chk=000099612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099612

0 1
O 4.704556 -0.852442 -0.000085
O 4.315457 1.394996 -0.000151
N -0.877509 1.634016 0.000035
N 3.907979 0.166017 0.000496
C -0.300675 -0.600923 0.000029
C -1.751522 -0.501857 -0.000121
C 0.210354 0.749058 0.000128
C -2.075792 0.901030 -0.000112
C 0.608787 -1.686214 0.000091
C 1.586064 1.029935 0.000278
C -2.796149 -1.458173 -0.000259
C -3.410198 1.359009 -0.000238
C 2.451453 -0.085960 0.000337
C 1.990917 -1.431348 0.000237
C -4.130995 -1.007841 -0.000385
C -4.431109 0.385296 -0.000375
H -0.808402 2.649222 0.000111
H 0.244202 -2.718340 0.000014
H 2.001877 2.040533 0.000347
H -2.572566 -2.530424 -0.000269
H -3.652458 2.426885 -0.000230
H 2.726431 -2.238836 0.000285
H -4.951523 -1.732663 -0.000492
H -5.478180 0.707525 -0.000472


