%chk=000158602.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158602

0 1
 O    2.058800       2.581500      4.5200001E-02
 O    2.646100      -2.629400     -0.8652000    
 N    4.471200      -1.431100      0.8021000    
 C   -1.566000     -7.3899999E-02 -0.5309000    
 C   -1.104400       1.421700     -0.7532000    
 C   -2.605900     -0.3353000      0.6256000    
 C  -0.6773000       2.034400      0.6291000    
 C   -2.056700      0.3255000       1.910600    
 C   -1.717400       1.802000       1.734500    
 C   -2.002700     -0.8218000      -1.808400    
 C   0.1480000       1.412400      -1.678700    
 C   -2.776700      -1.860600      0.8088000    
 C   -2.156900       2.293400      -1.467400    
 C   -4.028100      0.2023000      0.3393000    
 C   -2.068400      -2.331400      -1.565000    
 C  -0.3338000       3.531700      0.5908000    
 C   -2.533200      -2.722500     -0.1968000    
 C    1.246800      0.6434000      -1.060100    
 C   -3.261900      -2.387200       2.135600    
 C    2.181400       1.380200     -0.1734000    
 C    1.423300     -0.6658000      -1.268200    
 C    2.526100      -1.427700     -0.6443000    
 C    3.283000      0.6162000      0.4489000    
 C    3.466800     -0.6939000      0.2458000    
 C    5.438000     -0.8640000       1.695600    
 H  -0.6902000     -0.6079000     -0.1492000    
 H   0.1809000       1.493400       1.028100    
 H   -1.153800     -0.2038000       2.245200    
 H   -2.782800      0.2408000       2.729300    
 H   -2.626900       2.380200       1.538400    
 H   -1.324000       2.179600       2.687700    
 H   -1.333500     -0.6499000      -2.654300    
 H   -2.985000     -0.4691000      -2.141200    
 H   0.4833000       2.430500      -1.910500    
 H  -9.6199997E-02   1.002500      -2.665800    
 H   -2.582900       1.788600      -2.339300    
 H   -2.974100       2.593400     -0.8122000    
 H   -1.714000       3.226800      -1.835600    
 H   -4.466600     -0.2348000     -0.5635000    
 H   -4.712400     -3.5399999E-02   1.163200    
 H   -4.067800       1.284300      0.2339000    
 H   -1.073200      -2.766200      -1.715200    
 H   -2.724600      -2.786800      -2.315800    
 H   -1.250600       4.133500      0.6184000    
 H   0.2515000       3.814900       1.472800    
 H   0.2020000       3.852700     -0.3037000    
 H   -2.667900      -3.789300     -3.3799998E-02
 H   -3.456700      -3.465000       2.104400    
 H   -4.196200      -1.901700       2.432400    
 H   -2.513400      -2.217300       2.915700    
 H   0.7875000      -1.229100      -1.940000    
 H    3.938800       1.198900       1.088000    
 H    4.517700      -2.419600      0.5793000    
 H    4.965000     -0.4575000       2.595800    
 H    6.026800     -8.0399998E-02   1.207100    
 H    6.137200      -1.642200       2.018600    


%chk=000158602-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158602

0 1
O 2.471058 2.699011 -0.285878
O 2.841250 -2.733868 -0.664920
N 4.801797 -1.442913 0.646007
C -1.643318 -0.091170 -0.421200
C -1.135271 1.390528 -0.627650
C -2.814884 -0.312136 0.619617
C -0.843132 2.044687 0.779217
C -2.378560 0.344802 1.963746
C -1.999207 1.826148 1.787131
C -1.970076 -0.856227 -1.730791
C 0.216599 1.385214 -1.482571
C -3.015018 -1.838742 0.803839
C -2.122675 2.250780 -1.465334
C -4.202838 0.265036 0.193070
C -1.991122 -2.381525 -1.473806
C -0.495528 3.551887 0.722838
C -2.650544 -2.734611 -0.155808
C 1.404914 0.620376 -0.948803
C -3.678865 -2.322537 2.084688
C 2.531394 1.417195 -0.294141
C 1.554494 -0.741205 -1.084269
C 2.708310 -1.468555 -0.551279
C 3.663678 0.707874 0.274709
C 3.777411 -0.672752 0.169064
C 5.953631 -0.911979 1.367507
H -0.787098 -0.623461 0.048889
H 0.041096 1.509666 1.192821
H -1.504324 -0.207391 2.367823
H -3.190099 0.255364 2.711748
H -2.883547 2.416608 1.474344
H -1.689548 2.245068 2.765451
H -1.239414 -0.629769 -2.529638
H -2.954385 -0.538693 -2.122214
H 0.525282 2.438463 -1.595118
H -0.035614 1.002839 -2.489355
H -2.454533 1.707828 -2.368552
H -3.021511 2.530365 -0.892513
H -1.641429 3.187300 -1.799910
H -4.475078 -0.038580 -0.832124
H -4.989704 -0.121870 0.866451
H -4.241654 1.365236 0.247210
H -0.955197 -2.787116 -1.473430
H -2.510321 -2.902647 -2.304079
H -1.353703 4.147040 0.358343
H -0.252984 3.914478 1.739846
H 0.381164 3.756557 0.087636
H -2.825730 -3.805330 0.028108
H -3.866300 -3.409724 2.040914
H -4.649896 -1.820622 2.265555
H -3.050815 -2.124917 2.974286
H 0.808440 -1.354810 -1.598492
H 4.430655 1.321828 0.755966
H 4.713366 -2.447349 0.450987
H 5.639863 -0.388555 2.291975
H 6.520194 -0.191502 0.745034
H 6.627328 -1.737418 1.645554


