%chk=000045308.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045308

0 1
 O   0.9857000      -1.508100       1.974400    
 O   -5.694700      0.8690000      4.0100001E-02
 O   0.5348000      0.6595000       2.613900    
 N   -2.980000      0.1227000     -0.3779000    
 C   0.7761000      0.1580000      0.2175000    
 C  -0.5930000      0.6508000     -0.2420000    
 C   -1.683000     -0.3628000      8.8900000E-02
 C    1.105300      -1.191000     -0.3246000    
 C    1.836000       1.170700     -7.2800003E-02
 C   0.7456000     -0.1566000       1.726200    
 C   -3.336600       1.382400      0.2896000    
 C   -4.026900     -0.8825000     -0.1483000    
 C    1.205300      -2.078100      0.7329000    
 C   -4.698400       1.862800     -0.2037000    
 C   -5.372100     -0.3487000     -0.6323000    
 C    1.296500      -1.619600      -1.627800    
 C    3.131200      0.9762000      0.4029000    
 C    1.526100       2.306200     -0.8186000    
 C    1.499600      -3.415500      0.5435000    
 C    1.595900      -2.967100      -1.844400    
 C    1.697200      -3.859500     -0.7648000    
 C    4.120700       1.921200      0.1318000    
 C    2.515700       3.251200      -1.089800    
 C    3.813000       3.058600     -0.6145000    
 H  -0.6215000      0.8143000      -1.328100    
 H  -0.7926000       1.597800      0.2695000    
 H   -1.726400     -0.5687000       1.165300    
 H   -1.481900      -1.312500     -0.4188000    
 H   -2.642400       2.193400      5.7500001E-02
 H   -3.366000       1.247400       1.378500    
 H   -4.094500      -1.124900      0.9203000    
 H   -3.795800      -1.805500     -0.6922000    
 H   -4.993600       2.767800      0.3371000    
 H   -4.679400       2.107000      -1.272900    
 H   -5.374500     -0.1803000      -1.716200    
 H   -6.162500      -1.072000     -0.4080000    
 H    1.216900     -0.9329000      -2.463600    
 H    3.400800      9.9399999E-02  0.9851000    
 H   0.5474000       2.527300      -1.226900    
 H    1.575800      -4.101500       1.379500    
 H    1.751200      -3.329200      -2.857000    
 H    1.930300      -4.904200     -0.9516000    
 H    5.131000       1.771300      0.5012000    
 H    2.277800       4.137000      -1.671800    
 H    4.583600       3.794200     -0.8260000    


%chk=000045308-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045308

0 1
O 1.079895 -1.150568 2.180099
O -5.916108 0.723725 -0.119057
O 0.454098 1.073276 2.542329
N -3.065482 0.211429 -0.360654
C 0.795013 0.242016 0.175648
C -0.617667 0.677091 -0.332267
C -1.732523 -0.352641 -0.045588
C 1.130241 -1.201420 -0.173992
C 1.908088 1.239864 -0.234885
C 0.743703 0.184529 1.737745
C -3.606448 1.073643 0.723827
C -4.068721 -0.817456 -0.739730
C 1.280254 -1.946341 1.013866
C -4.916183 1.734818 0.265802
C -5.370144 -0.130473 -1.186652
C 1.295882 -1.844613 -1.412742
C 3.256234 0.802910 -0.319587
C 1.624371 2.608487 -0.472707
C 1.590374 -3.311352 1.040012
C 1.605585 -3.228551 -1.426864
C 1.751389 -3.950157 -0.215447
C 4.290048 1.706315 -0.646674
C 2.658498 3.512360 -0.803107
C 3.995977 3.066883 -0.891957
H -0.570275 0.863257 -1.420495
H -0.876794 1.632574 0.157514
H -1.675072 -0.699752 1.017724
H -1.576020 -1.245833 -0.677448
H -2.870283 1.857853 0.978578
H -3.799899 0.477315 1.650665
H -4.296879 -1.508320 0.110471
H -3.667192 -1.421560 -1.575296
H -5.379534 2.309608 1.084468
H -4.711747 2.406247 -0.595998
H -5.171647 0.482619 -2.092461
H -6.157908 -0.870910 -1.403476
H 1.198608 -1.284923 -2.349419
H 3.500643 -0.249098 -0.136512
H 0.599795 2.983797 -0.400980
H 1.700378 -3.850935 1.984447
H 1.737852 -3.745630 -2.383029
H 1.994012 -5.017789 -0.245642
H 5.323725 1.348015 -0.707386
H 2.417954 4.565538 -0.986218
H 4.797609 3.769151 -1.145828


