%chk=000051731.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051731

0 1
 O   -2.743600      0.9383000     -0.2369000    
 O    4.963400       1.405800      0.3275000    
 O   -1.281500     -0.3810000      0.9260000    
 N   -6.267300     -0.1034000      0.1064000    
 N  -0.5585000       1.439500     -0.3561000    
 C   -6.348800      -1.340800     -0.6817000    
 C   -7.483100      0.7178000      5.9300002E-02
 C   -7.169000      -2.418400      2.6600000E-02
 C   -8.753800      4.8300002E-02  0.5915000    
 C   -8.671500      -2.380100     -0.2305000    
 C   -9.315100      -1.005500     -0.3545000    
 C   -5.121300      0.6983000     -0.3378000    
 C   -3.825200      0.1437000      0.2316000    
 C    7.722400      -1.149800      0.2111000    
 C    9.169500      -1.144100     -0.2894000    
 C    7.005600      0.1848000      1.2800000E-02
 C    9.879000      -2.487200     -0.1134000    
 C    5.582900      0.1407000      0.5546000    
 C   -1.487900      0.5729000      0.1856000    
 C    11.33180      -2.408900     -0.5578000    
 C   0.8444000       1.430100     -0.1837000    
 C    3.613000       1.412900      0.1587000    
 C    1.631200       2.393500     -0.8150000    
 C    1.441900      0.4582000      0.6188000    
 C    3.015500       2.384900     -0.6438000    
 C    2.826200      0.4496000      0.7901000    
 H   -6.727800      -1.152200      -1.694500    
 H   -5.353200      -1.775900     -0.8156000    
 H   -7.660500       1.087400     -0.9596000    
 H   -7.322600       1.604100      0.6877000    
 H   -6.803100      -3.404900     -0.2873000    
 H   -6.981500      -2.374200       1.107900    
 H   -8.590300     -0.3658000       1.593600    
 H   -9.512300      0.8340000      0.7044000    
 H   -8.890300      -2.939400      -1.149300    
 H   -9.166600      -2.935900      0.5762000    
 H   -10.38940      -1.120000     -0.1619000    
 H   -9.235500     -0.6541000      -1.390900    
 H   -5.071100      0.7724000      -1.432600    
 H   -5.204100       1.734300      1.8999999E-02
 H   -3.852100      0.1821000       1.327800    
 H   -3.647000     -0.8904000     -7.7699997E-02
 H    7.715400      -1.410000       1.276900    
 H    7.167200      -1.939100     -0.3107000    
 H    9.182200     -0.8659000      -1.350500    
 H    9.726900     -0.3663000      0.2477000    
 H    7.559600      0.9903000      0.5105000    
 H    6.984500      0.4479000      -1.052000    
 H    9.361300      -3.259100     -0.6941000    
 H    9.841300      -2.791800      0.9389000    
 H    5.595400     -6.2300000E-02   1.631700    
 H    5.050000     -0.6670000      3.5999998E-02
 H    11.40420      -2.131900      -1.614300    
 H    11.88310      -1.668500      3.0600000E-02
 H    11.82070      -3.379300     -0.4265000    
 H  -0.9254000       2.176400     -0.9533000    
 H    3.623400       3.138000      -1.137800    
 H    3.249400     -0.3063000       1.445200    
 H    1.178300       3.156500      -1.442800    
 H   0.8968000     -0.3139000       1.143800    


%chk=000051731-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051731

0 1
O -2.878945 0.977768 -0.121016
O 4.994593 0.959464 -0.504523
O -1.428943 -0.779796 0.496518
N -6.494937 0.023701 0.083142
N -0.656485 1.297490 -0.350308
C -6.714841 -1.169355 -0.782078
C -7.689683 0.882101 0.270670
C -7.461676 -2.311598 -0.053138
C -8.912121 0.173391 0.898452
C -9.013867 -2.248385 -0.093809
C -9.626914 -0.823667 -0.048311
C -5.288044 0.797430 -0.301702
C -4.039155 0.159314 0.321868
C 8.067535 -1.211058 0.134508
C 9.580915 -0.962775 -0.055541
C 7.205661 0.006101 -0.273153
C 10.452112 -2.174075 0.348350
C 5.710557 -0.260613 -0.088353
C -1.611240 0.382192 0.052598
C 11.962321 -1.919689 0.152239
C 0.758852 1.133596 -0.358888
C 3.591474 0.947438 -0.429430
C 1.545336 2.229322 -0.809602
C 1.404146 -0.056619 0.057038
C 2.946049 2.138710 -0.844990
C 2.813131 -0.146714 0.020866
H -7.246611 -0.893502 -1.728256
H -5.718353 -1.542187 -1.081928
H -8.022010 1.341941 -0.698994
H -7.387814 1.715887 0.933764
H -7.143672 -3.281863 -0.484289
H -7.104451 -2.299373 0.993366
H -8.605634 -0.326058 1.837963
H -9.629831 0.970358 1.179059
H -9.381777 -2.753488 -1.009477
H -9.402782 -2.839619 0.759180
H -10.692116 -0.913986 0.242878
H -9.628588 -0.384878 -1.067558
H -5.151747 0.875534 -1.406319
H -5.383249 1.829384 0.081864
H -4.097549 0.180129 1.424174
H -3.887399 -0.885576 -0.001385
H 7.870965 -1.468235 1.196503
H 7.766347 -2.097428 -0.462482
H 9.780585 -0.706531 -1.116863
H 9.886225 -0.077650 0.540534
H 7.489330 0.890105 0.329681
H 7.394514 0.265529 -1.332545
H 10.144268 -3.058514 -0.246191
H 10.253057 -2.428381 1.409504
H 5.475113 -0.486678 0.973313
H 5.379927 -1.117102 -0.713469
H 12.191480 -1.691618 -0.905938
H 12.301801 -1.060135 0.760636
H 12.563398 -2.799784 0.445980
H -1.027710 2.192125 -0.676406
H 3.558282 2.977002 -1.190402
H 3.285420 -1.077632 0.347632
H 1.057957 3.157510 -1.133944
H 0.803893 -0.899662 0.405500


