%chk=000041605.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041605

0 1
 O   0.7000000       2.025500      0.5939000    
 O   -2.783500      -1.144000      0.9753000    
 O  -0.8340000       3.337200     -0.4815000    
 N    3.450000       1.353300      0.4055000    
 N   -1.380100       1.205800      0.3293000    
 C    4.376600      0.6338000       1.290800    
 C    4.074100       1.644400     -0.8929000    
 C    4.828700     -0.6852000      0.6620000    
 C    4.516400      0.3586000      -1.593000    
 C    5.452300     -0.4598000     -0.7107000    
 C    2.990600       2.588100       1.040500    
 C    1.681900       3.054500      0.4232000    
 C  -0.9354000      -3.114700     -4.7600001E-02
 C   0.2377000      -4.091300      7.5400002E-02
 C   -2.095400      -3.437000      0.8930000    
 C    1.408800      -3.754400     -0.8484000    
 C   -3.249700      -2.460000      0.7115000    
 C  -0.5444000       2.292200      8.8200003E-02
 C    2.515600      -4.792600     -0.7413000    
 C   -2.725100       1.049200     -1.3300000E-02
 C   -3.410800     -0.1211000      0.3125000    
 C   -4.753900     -0.2626000     -3.6300000E-02
 C   -3.382800       2.077800     -0.6880000    
 C   -5.411400      0.7660000     -0.7112000    
 C   -4.726000       1.936200      -1.036900    
 H    3.880800      0.3998000       2.240900    
 H    5.253500       1.252600       1.523100    
 H    4.940200       2.308300     -0.7704000    
 H    3.370600       2.150900      -1.561900    
 H    5.552100      -1.180400       1.319600    
 H    3.968900      -1.360600      0.5663000    
 H    3.634600     -0.2434000      -1.847200    
 H    5.018700      0.6038000      -2.535700    
 H    5.672500      -1.421700      -1.186400    
 H    6.405800      7.0400000E-02 -0.5973000    
 H    3.747600       3.380700      0.9970000    
 H    2.788000       2.395700       2.102500    
 H    1.787900       3.298000     -0.6390000    
 H    1.342100       3.954600      0.9495000    
 H  -0.5646000      -2.101900      0.1513000    
 H   -1.296200      -3.120700      -1.083800    
 H   0.5900000      -4.101700       1.114400    
 H  -0.1199000      -5.104400     -0.1470000    
 H   -2.450000      -4.458900      0.7178000    
 H   -1.734200      -3.383500       1.927200    
 H    1.060600      -3.706300      -1.886600    
 H    1.810000      -2.766400     -0.5941000    
 H   -3.622200      -2.569500     -0.3155000    
 H   -4.050900      -2.708100       1.416700    
 H    2.904500      -4.846600      0.2806000    
 H    2.151800      -5.785400      -1.024600    
 H    3.344500      -4.531600      -1.406700    
 H  -0.9564000      0.4215000      0.8194000    
 H   -5.335700      -1.141800      0.2237000    
 H   -2.923600       3.013000     -0.9750000    
 H   -6.459200      0.6593000     -0.9769000    
 H   -5.239800       2.737100      -1.560800    


%chk=000041605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041605

0 1
O 0.560594 1.939829 0.752072
O -2.693008 -1.044724 0.453561
O -0.926062 3.546388 -0.127525
N 3.488248 1.284779 0.240803
N -1.547577 1.296000 0.298434
C 4.267814 0.207079 0.899862
C 4.265856 1.942645 -0.838105
C 4.698968 -0.866384 -0.120548
C 4.700519 0.924153 -1.911737
C 5.506450 -0.230450 -1.274841
C 2.919306 2.252180 1.205201
C 1.650058 2.943598 0.703628
C -0.829127 -3.316189 -0.030099
C 0.347436 -4.179886 0.476117
C -2.041943 -3.325067 0.927064
C 1.579751 -4.123465 -0.455631
C -3.195820 -2.431072 0.463213
C -0.685541 2.374497 0.262677
C 2.760601 -4.979137 0.051125
C -2.905323 1.259215 -0.096380
C -3.537550 -0.021119 -0.017992
C -4.885468 -0.182435 -0.390911
C -3.646936 2.372325 -0.552829
C -5.620099 0.940052 -0.846417
C -5.001956 2.205882 -0.924711
H 3.633411 -0.247731 1.683332
H 5.185203 0.614422 1.405877
H 5.178410 2.450051 -0.420167
H 3.641869 2.729148 -1.301627
H 5.295787 -1.644614 0.393706
H 3.790700 -1.352566 -0.527940
H 3.795039 0.518380 -2.402350
H 5.300709 1.440169 -2.685814
H 5.761593 -0.991791 -2.035988
H 6.464803 0.165058 -0.878071
H 3.657374 3.049721 1.482193
H 2.665779 1.714304 2.137395
H 1.748141 3.317570 -0.331083
H 1.378007 3.796050 1.354495
H -0.484920 -2.272990 -0.167582
H -1.146916 -3.675363 -1.031420
H 0.643234 -3.838547 1.490448
H 0.017700 -5.234670 0.586267
H -2.433328 -4.357745 1.031612
H -1.724958 -2.999857 1.937464
H 1.284927 -4.459603 -1.470763
H 1.904775 -3.067793 -0.560524
H -3.529724 -2.702556 -0.560095
H -4.061031 -2.498682 1.153974
H 3.094062 -4.641208 1.050742
H 2.472136 -6.044008 0.136765
H 3.627523 -4.917664 -0.632277
H -1.156989 0.404788 0.618511
H -5.367240 -1.162819 -0.330738
H -3.154404 3.345093 -0.616658
H -6.668821 0.816495 -1.136618
H -5.569841 3.072967 -1.277996


