%chk=000079448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079448

0 1
 O   -3.678100      -1.199400      2.0999999E-03
 N   -2.366200      0.7604000     -1.9999999E-04
 N   0.4573000      -1.595600     -6.0000003E-04
 C    1.331900      0.6499000     -9.9999997E-05
 C    1.505200     -0.7500000     -3.0000001E-04
 C   -1.057900      0.2840000     -5.0000002E-04
 C   2.3800001E-02   1.152900     -1.9999999E-04
 C    2.448400       1.503200      3.9999999E-04
 C    2.804900      -1.249000       0.000000    
 C  -0.7890000      -1.069600     -6.9999998E-04
 C    3.736900      0.9769000      6.0000003E-04
 C    3.915100     -0.4010000      3.0000001E-04
 C   -3.558900      2.1500001E-02 -6.0000003E-04
 C   -4.773300      0.9159000     -9.9999997E-05
 H  -0.1455000       2.228200      9.9999997E-05
 H    2.320300       2.583400      6.9999998E-04
 H   -1.546500      -1.840600     -1.1000000E-03
 H    2.971200      -2.324700     -1.9999999E-04
 H   -2.458400       1.774100     -9.9999997E-05
 H    4.597200       1.639200      1.0000000E-03
 H    4.917000     -0.8202000      5.0000002E-04
 H   -4.782900       1.524700      0.9082000    
 H   -5.681700      0.3079000     -3.0600000E-02
 H   -4.754000       1.568300     -0.8775000    


%chk=000079448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079448

0 1
O -3.691845 -1.212681 -0.004337
N -2.395130 0.748217 -0.001438
N 0.487928 -1.655369 0.001165
C 1.346269 0.674679 -0.000429
C 1.550970 -0.760851 0.000744
C -1.068123 0.240578 -0.000710
C 0.000638 1.150519 -0.001119
C 2.489287 1.540541 -0.000894
C 2.883670 -1.281105 0.001442
C -0.766811 -1.174545 0.000438
C 3.779238 1.004974 -0.000231
C 3.979282 -0.413890 0.000959
C -3.610961 0.047704 -0.001700
C -4.838018 0.960358 0.000922
H -0.185028 2.233350 -0.002000
H 2.338396 2.627233 -0.001818
H -1.587318 -1.894949 0.000576
H 3.002381 -2.369023 0.002328
H -2.471186 1.769289 -0.001540
H 4.649171 1.671134 -0.000631
H 4.998550 -0.815245 0.001477
H -4.874332 1.579298 0.916720
H -5.739715 0.332800 -0.035372
H -4.840513 1.637383 -0.873453


