%chk=000100173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100173

0 1
 O   0.7810000      -2.127500      -1.575400    
 O    3.467100      -2.618400      -1.407000    
 O    4.952200      -1.542100      0.6617000    
 O   -5.063400      -1.295400      7.7000000E-02
 O   -4.129600      0.6421000      -1.689500    
 O    1.080300       4.473100     -0.2479000    
 N   0.8159000       2.170700     -0.4619000    
 C  -0.1690000       1.988800      0.5857000    
 C   0.4829000       1.952600       1.986100    
 C   0.9579000      0.6008000       2.530700    
 C   -1.106000      0.8368000      0.2122000    
 C    1.620000     -0.2687000       1.496300    
 C   0.8555000     -0.8239000      0.4499000    
 C  -0.6063000     -0.5385000      0.3697000    
 C    1.487400      -1.610500     -0.5264000    
 C    2.997000     -0.5205000       1.554300    
 C   -2.302900       1.164200     -0.3100000    
 C   -1.382500      -1.625600      0.5452000    
 C    2.858700      -1.854300     -0.4550000    
 C    3.611500      -1.311700      0.5839000    
 C   -3.405400      0.2841000     -0.7629000    
 C    1.353200       3.402500     -0.7845000    
 C   -2.817600      -1.718400      0.6024000    
 C   -3.725800     -0.9405000      7.3000002E-03
 C    2.370100       3.304600      -1.890000    
 C   0.6954000      -1.327500      -2.750800    
 C   -5.677800     -0.6970000       1.199100    
 H  -0.7531000       2.920800      0.5866000    
 H  -0.2370000       2.353000       2.713000    
 H    1.333700       2.647100       2.003000    
 H   0.1115000      5.4000001E-02   2.966700    
 H    1.639400      0.7793000       3.372300    
 H    1.142400       1.356700     -0.9741000    
 H    3.595900     -9.5100001E-02   2.356200    
 H   -2.530500       2.217000     -0.4755000    
 H  -0.9114000      -2.595800      0.7124000    
 H   -3.173900      -2.601700       1.132000    
 H    2.651400       4.307600      -2.222600    
 H    3.259600       2.784700      -1.523200    
 H    1.952300       2.757200      -2.739900    
 H    4.283200      -3.000900      -1.046000    
 H    5.295200      -1.773600     -0.2165000    
 H   0.1214000      -1.880800      -3.499300    
 H   0.1789000     -0.3851000      -2.545500    
 H    1.691900      -1.125600      -3.156400    
 H   -5.226400      -1.043800       2.135400    
 H   -6.732200     -0.9891000       1.207200    
 H   -5.632700      0.3964000       1.143200    


%chk=000100173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100173

0 1
O 1.117565 -2.043603 -1.587736
O 3.765350 -2.588257 -1.300202
O 5.238751 -1.653466 0.852250
O -4.896869 -1.368111 0.159277
O -4.517458 1.134680 1.516401
O -0.342329 3.343754 -1.658608
N 1.071223 2.112846 -0.281117
C 0.106001 2.054790 0.836399
C 0.835983 2.049432 2.212738
C 1.231728 0.634460 2.722510
C -0.904540 0.886500 0.721627
C 1.885903 -0.220610 1.648740
C 1.087097 -0.704352 0.560488
C -0.392569 -0.456772 0.522422
C 1.742392 -1.483385 -0.434793
C 3.263458 -0.533446 1.731187
C -2.237287 1.265233 0.876705
C -1.198959 -1.588450 0.299444
C 3.111549 -1.806528 -0.333488
C 3.883021 -1.335797 0.753062
C -3.508373 0.547812 0.969549
C 0.776742 2.777694 -1.461749
C -2.606979 -1.732797 0.190851
C -3.648216 -0.820008 0.403038
C 1.898010 2.803458 -2.498741
C 0.606515 -1.060533 -2.575760
C -6.109945 -0.532538 -0.025428
H -0.474431 2.990608 0.754085
H 0.168819 2.515686 2.961659
H 1.730994 2.695797 2.128483
H 0.318757 0.128323 3.090411
H 1.908594 0.743194 3.588465
H 1.972262 1.646065 -0.170527
H 3.865401 -0.176691 2.572329
H -2.409730 2.337775 1.049182
H -0.647918 -2.522911 0.140282
H -2.959643 -2.732802 -0.094159
H 1.497098 2.475092 -3.472812
H 2.245347 3.843907 -2.626146
H 2.763566 2.172984 -2.229277
H 3.078422 -2.898366 -1.950538
H 5.492893 -2.238980 0.090892
H 0.170144 -1.661880 -3.387285
H -0.167019 -0.416201 -2.125650
H 1.437092 -0.439229 -2.961381
H -6.336931 0.029320 0.890985
H -6.891798 -1.264749 -0.277056
H -5.960285 0.173152 -0.861811


