%chk=000026408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026408

0 1
 O    7.595100     -0.8659000      6.7599997E-02
 O   -6.699100       1.452200      0.7278000    
 O   -3.795900      -2.401200     -0.3327000    
 O    2.687300      0.1611000       1.379500    
 O   -2.720000     -3.7000000E-03  -2.439100    
 N    5.163000      0.6022000      0.2455000    
 N   -4.546700     -0.3515000      0.5011000    
 N    1.691500      0.6649000     -0.6861000    
 C    6.397700       1.219000     -0.2592000    
 C    5.171300     -0.8408000     -3.2000002E-02
 C    7.611100      0.5318000      0.3608000    
 C    6.413200      -1.479100      0.5837000    
 C    3.986800       1.237400     -0.3451000    
 C   -5.898700     -0.8314000      0.7828000    
 C   -4.309800       1.047500      0.8773000    
 C   -6.932400      0.1347000      0.2226000    
 C   -5.416300       1.936900      0.3232000    
 C   -3.593600      -1.229200     -1.8600000E-02
 C    2.730000      0.6183000      0.2418000    
 C   -2.224400     -0.7316000     -0.2077000    
 C   0.3672000      0.1928000     -0.5243000    
 C   -1.837700     -0.1377000      -1.409100    
 C   -1.305900     -0.8600000      0.8343000    
 C  -0.5327000      0.3279000      -1.568600    
 C  -8.9999998E-04 -0.3944000      0.6748000    
 H    6.422600       2.284300     -2.9000000E-03
 H    6.448400       1.130700      -1.352400    
 H    4.302500      -1.360400      0.3821000    
 H    5.177300      -1.015200      -1.116400    
 H    8.531300      0.9494000     -5.9999999E-02
 H    7.647300      0.6775000       1.447300    
 H    6.408000      -1.402800       1.677900    
 H    6.452600      -2.542500      0.3261000    
 H    3.961300       2.304900     -9.5600002E-02
 H    3.995400       1.142100      -1.437900    
 H   -6.053400      -1.836000      0.3779000    
 H   -5.986600     -0.8873000       1.874200    
 H   -4.319300       1.075600       1.973300    
 H   -3.336100       1.406600      0.5393000    
 H   -6.907100      0.1576000     -0.8734000    
 H   -7.937800     -0.1701000      0.5291000    
 H   -5.305700       2.956100      0.7063000    
 H   -5.377400       1.984300     -0.7717000    
 H    1.884900       1.089100      -1.590700    
 H   -1.597400      -1.321200       1.774700    
 H  -0.2277000      0.7912000      -2.503500    
 H   0.6494000     -0.5306000       1.525900    
 H   -2.273900      0.4311000      -3.185900    


%chk=000026408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026408

0 1
O 8.017821 -0.756066 -0.262635
O -7.093030 1.339977 -0.155183
O -3.870101 -2.337962 0.695534
O 2.930220 -0.346381 1.397556
O -2.954680 0.603878 -1.744125
N 5.397907 0.418044 0.099989
N -4.799635 -0.208525 0.633264
N 1.738649 0.593051 -0.397833
C 6.580927 1.264430 -0.188505
C 5.548145 -0.945437 -0.465642
C 7.852040 0.576843 0.337825
C 6.842664 -1.585883 0.059613
C 4.136277 1.066270 -0.247871
C -6.163629 -0.751224 0.823271
C -4.745973 1.266524 0.657646
C -7.112725 -0.134053 -0.220961
C -5.724949 1.837170 -0.388643
C -3.723069 -1.079799 0.543203
C 2.899993 0.347604 0.346610
C -2.336987 -0.520998 0.311722
C 0.402220 0.194812 -0.119173
C -1.949238 0.235172 -0.825192
C -1.308787 -0.931227 1.196501
C -0.601364 0.593189 -1.040302
C 0.041440 -0.579821 1.015594
H 6.457329 2.242602 0.315364
H 6.700213 1.452148 -1.286511
H 4.687874 -1.560956 -0.147634
H 5.577042 -0.920183 -1.585160
H 8.755091 1.144176 0.058040
H 7.791925 0.486214 1.443517
H 6.767321 -1.717831 1.159508
H 7.027785 -2.559835 -0.421939
H 4.147395 2.093772 0.169751
H 3.991506 1.176597 -1.360226
H -6.109178 -1.848526 0.728967
H -6.518765 -0.498776 1.842922
H -5.049399 1.616781 1.666471
H -3.722074 1.616351 0.460888
H -6.820444 -0.468330 -1.239433
H -8.158197 -0.421790 -0.022514
H -5.795778 2.934682 -0.308983
H -5.381186 1.548536 -1.402708
H 1.871637 1.131164 -1.258629
H -1.589885 -1.565161 2.043476
H -0.330126 1.180836 -1.929305
H 0.811030 -0.903416 1.716475
H -2.556553 0.995958 -2.560600


