%chk=000026309.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026309

0 1
 O    1.946000       1.431900     -0.6026000    
 O   -4.690900       1.672600      -1.125000    
 O   -1.765100     -0.1621000       1.963800    
 O    2.335900      -1.944900       1.680300    
 O   0.8240000     -0.9001000      0.2941000    
 N   -3.168400       1.153400      0.6011000    
 N    6.703900      -1.450400     -0.6042000    
 C   -1.852100       3.234600      0.4871000    
 C   -2.963400       2.452600       1.180400    
 C  -0.4950000       2.529700      0.5761000    
 C   0.6083000       3.368500     -7.6600000E-02
 C   -4.003600      0.9055000     -0.4766000    
 C   -2.555300     -4.6999999E-03   1.051800    
 C   -3.923600     -0.5330000     -0.7283000    
 C   -3.047900      -1.083400      0.1960000    
 C    1.975800       2.704200      2.7700000E-02
 C   -4.557100      -1.302800      -1.682100    
 C   -2.759600      -2.432400      0.2151000    
 C   -4.280500      -2.673000      -1.681400    
 C   -3.390400      -3.232300     -0.7419000    
 C    3.111300      0.7096000     -0.5949000    
 C    3.163900     -0.5428000      7.3000002E-03
 C    4.240200       1.251700      -1.200200    
 C    4.359300      -1.261800      4.4000000E-03
 C    5.495000     -0.7238000     -0.6009000    
 C    5.435700      0.5328000      -1.203200    
 C    1.989400      -1.122000      0.6445000    
 C    1.264200      -2.577500       2.388100    
 H   -1.780400       4.227200      0.9478000    
 H   -2.111700       3.388000     -0.5678000    
 H   -3.898500       3.018700       1.102300    
 H   -2.724900       2.333600       2.243500    
 H  -0.2417000       2.341900       1.626200    
 H  -0.5459000       1.562100      6.7599997E-02
 H   0.3595000       3.512700      -1.135200    
 H   0.6519000       4.358800      0.3913000    
 H    2.711200       3.360000     -0.4513000    
 H    2.253500       2.584100       1.082100    
 H   -5.240900     -0.8732000      -2.404600    
 H   -2.074300      -2.862200      0.9363000    
 H   -4.756900      -3.318400      -2.414900    
 H   -3.193000      -4.300900     -0.7646000    
 H    4.209400       2.219600      -1.691600    
 H    4.422500      -2.249300      0.4562000    
 H    6.312800      0.9608000      -1.681900    
 H    7.527600      -1.060200      -1.042500    
 H    6.748600      -2.361300     -0.1673000    
 H   0.6309000      -1.822900       2.863500    
 H   0.6772000      -3.200900       1.707000    
 H    1.697200      -3.214400       3.163800    


%chk=000026309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026309

0 1
O 1.951601 1.541138 -0.760955
O -4.355560 1.817129 -0.840756
O -1.740048 -0.369868 2.411340
O 2.023014 -2.252928 1.091584
O 0.651918 -0.800381 -0.100569
N -2.933873 1.040768 0.904646
N 6.756355 -1.366409 -0.038631
C -1.746729 3.243329 0.626728
C -2.641213 2.348997 1.518841
C -0.294088 2.735903 0.509406
C 0.485283 3.445283 -0.620918
C -3.772858 0.881091 -0.235857
C -2.461115 -0.214048 1.394454
C -3.814090 -0.591493 -0.508573
C -3.030791 -1.248083 0.469662
C 1.955771 3.016496 -0.691655
C -4.482870 -1.304322 -1.514238
C -2.898651 -2.643735 0.479951
C -4.350074 -2.717199 -1.516294
C -3.571898 -3.376821 -0.531435
C 3.157421 0.859471 -0.578513
C 3.103863 -0.489729 -0.103920
C 4.421779 1.446282 -0.836190
C 4.312977 -1.210353 0.071195
C 5.576669 -0.632674 -0.209096
C 5.611254 0.716506 -0.661265
C 1.808058 -1.138731 0.246849
C 0.789388 -2.934473 1.541927
H -1.761570 4.266468 1.054084
H -2.212407 3.316141 -0.374507
H -3.604544 2.856098 1.713206
H -2.149597 2.136555 2.485534
H 0.230335 2.882904 1.476663
H -0.275511 1.650199 0.307138
H -0.001571 3.222892 -1.590346
H 0.456138 4.546940 -0.488613
H 2.448538 3.442089 -1.590425
H 2.516810 3.335119 0.212297
H -5.084091 -0.782185 -2.265105
H -2.303423 -3.145155 1.248969
H -4.856275 -3.308937 -2.286600
H -3.490735 -4.469020 -0.554851
H 4.480214 2.480080 -1.189481
H 4.247499 -2.235672 0.446853
H 6.574591 1.194332 -0.878037
H 7.661357 -0.951108 -0.234890
H 6.727649 -2.324589 0.295093
H 0.118967 -2.217348 2.046821
H 0.262493 -3.378999 0.679014
H 1.137741 -3.714051 2.235266


