%chk=000042112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042112

0 1
 O    2.636700      -1.317300      0.6974000    
 O  -0.2433000      -1.039200      0.5899000    
 O   -6.518700      0.3612000      0.1833000    
 N    1.640700       1.942900     -0.1573000    
 N   -1.021500       1.070700     -2.0000001E-03
 N    2.923700      -4.675200     -0.8103000    
 N    3.023000      -5.958100     -0.1910000    
 C    3.591400      0.9066000      0.1554000    
 C    2.533100     -2.1299999E-02  0.3644000    
 C    3.004300       2.131200     -0.1707000    
 C    1.346200      0.6452000      0.1650000    
 C    4.996700      0.8223000      0.2124000    
 C    3.755300       3.279900     -0.4437000    
 C   1.1400000E-02  0.1415000      0.2606000    
 C    2.720200      -2.276400     -0.3674000    
 C    5.760700       1.963300     -5.8100000E-02
 C    5.147500       3.172100     -0.3809000    
 C    2.853100      -3.665700      0.2356000    
 C   -2.426900      0.8893000      4.4799998E-02
 C   -3.255600       1.956000     -0.2554000    
 C   -2.935900     -0.3502000      0.3898000    
 C   -5.169700      0.5350000      0.1366000    
 C   -4.638200       1.777400     -0.2091000    
 C   -4.318700     -0.5288000      0.4360000    
 C   -7.016000     -0.9432000     -0.1116000    
 C   -8.399500     -0.8191000     -0.7136000    
 H   0.9750000       2.674900     -0.3585000    
 H    5.488300     -0.1136000      0.4624000    
 H    3.278800       4.221500     -0.6950000    
 H    1.817200      -2.209300     -0.9864000    
 H    3.592000      -2.045700     -0.9923000    
 H    6.845100       1.904100     -1.5500000E-02
 H    5.760300       4.045900     -0.5875000    
 H  -0.7572000       2.015300     -0.2638000    
 H    1.999700      -3.844900      0.9035000    
 H    3.751900      -3.693200      0.8656000    
 H   -2.852300       2.927700     -0.5258000    
 H   -2.351600      -1.221400      0.6419000    
 H   -5.296300       2.609700     -0.4433000    
 H   -4.692700      -1.503100      0.7368000    
 H    2.081200      -4.642700      -1.383300    
 H   -7.065700      -1.527200      0.8140000    
 H   -6.385400      -1.465200     -0.8423000    
 H    3.141500      -6.664200     -0.9164000    
 H    2.142500      -6.180400      0.2728000    
 H   -8.368100     -0.2257000      -1.633400    
 H   -9.074800     -0.3016000     -2.4200000E-02
 H   -8.816700      -1.803700     -0.9428000    


%chk=000042112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042112

0 1
O 3.080980 -1.287938 0.487270
O -0.099171 -1.303170 -0.530500
O -6.535512 0.434875 -0.024262
N 1.663402 1.924390 -0.521939
N -0.886349 0.858640 -0.026492
N 2.521400 -4.871621 -0.362564
N 2.910415 -6.128131 0.179534
C 3.707209 1.060015 0.042697
C 2.739748 -0.018434 0.054706
C 3.013417 2.253232 -0.349219
C 1.481504 0.526791 -0.290971
C 5.096522 1.108293 0.324297
C 3.683396 3.486765 -0.507785
C 0.130659 -0.068432 -0.302453
C 2.775938 -2.447225 -0.410027
C 5.765427 2.337296 0.180946
C 5.066145 3.511439 -0.235911
C 2.961803 -3.708579 0.440295
C -2.297691 0.661483 -0.043729
C -3.116669 1.766077 0.325903
C -2.916300 -0.559389 -0.414057
C -5.131641 0.437602 -0.054372
C -4.515654 1.657839 0.322284
C -4.324405 -0.666880 -0.421487
C -7.225936 -0.814329 -0.400932
C -8.723315 -0.546339 -0.276358
H 1.020766 2.476199 -1.090896
H 5.623222 0.203060 0.641745
H 3.153828 4.394526 -0.817401
H 1.737723 -2.350426 -0.775628
H 3.488114 -2.430749 -1.255861
H 6.838856 2.401649 0.388875
H 5.616532 4.453115 -0.340862
H -0.575319 1.760029 0.346668
H 2.402088 -3.581860 1.396550
H 4.023467 -3.864471 0.691065
H -2.654267 2.717760 0.619174
H -2.290878 -1.412808 -0.680144
H -5.150152 2.502480 0.606620
H -4.773068 -1.621794 -0.710534
H 1.519639 -4.809781 -0.608742
H -6.905010 -1.631805 0.277431
H -6.950546 -1.089198 -1.440237
H 3.250043 -6.784038 -0.524312
H 2.319879 -6.537047 0.914468
H -9.028820 0.275106 -0.946609
H -8.983271 -0.264807 0.758271
H -9.295447 -1.452111 -0.547916


