%chk=000126198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126198

0 1
 O    1.283200       1.893400     -0.7043000    
 O    3.844300       2.786400     -0.3804000    
 O   -4.229100       2.026200     -0.6981000    
 O   -5.816500     -0.2197000     -0.2992000    
 N   0.3626000      -2.302400     -0.4294000    
 C   0.5101000     -0.8394000     -0.2631000    
 C    1.946600     -0.3573000     -0.1394000    
 C    1.231300      -3.047800      0.4900000    
 C    2.718200      -2.723100      0.3309000    
 C    2.985400      -1.248400      0.1841000    
 C  -0.3157000     -0.3807000      0.9499000    
 C    2.244300       1.002500     -0.3243000    
 C   0.5468000      -2.718800      -1.820000    
 C   -1.774700     -0.3349000      0.6174000    
 C    4.297900     -0.7701000      0.3062000    
 C    3.551900       1.469100     -0.1921000    
 C    4.578000      0.5834000      0.1237000    
 C   -2.331600      0.8352000      0.1090000    
 C   -2.565900      -1.462300      0.8193000    
 C   -3.691200      0.8782000     -0.2002000    
 C   -3.925200      -1.419300      0.5101000    
 C   -4.487900     -0.2492000      3.0000001E-04
 C    3.779600       3.634800      0.7639000    
 C   -4.742300       2.964400      0.2457000    
 H   8.5800000E-02 -0.3882000      -1.170200    
 H    1.077100      -4.126900      0.3636000    
 H   0.9297000      -2.844700       1.524400    
 H    3.116200      -3.233900     -0.5547000    
 H    3.257300      -3.110600       1.203800    
 H  -1.3900000E-02  0.6204000       1.286500    
 H  -0.1505000      -1.007500       1.834900    
 H    1.530400      -2.455400      -2.222500    
 H  -0.2153000      -2.257900      -2.458600    
 H   0.4142000      -3.802100      -1.917900    
 H    5.110300      -1.453800      0.5396000    
 H    5.600600      0.9374000      0.2218000    
 H   -1.718500       1.718600     -4.7400001E-02
 H   -2.142000      -2.378700       1.220600    
 H   0.4207000       1.471300     -0.8172000    
 H   -4.540800      -2.300500      0.6695000    
 H    2.770300       3.635000       1.187500    
 H    4.027500       4.652700      0.4505000    
 H    4.504200       3.314900       1.519500    
 H   -6.029000      0.6508000     -0.6776000    
 H   -3.938000       3.338900      0.8868000    
 H   -5.528600       2.510600      0.8572000    
 H   -5.170200       3.805900     -0.3059000    


%chk=000126198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126198

0 1
O 0.871879 1.677763 -0.478574
O 3.452900 2.915809 -0.285741
O -4.322208 2.330670 0.059507
O -5.781549 0.272497 -0.839938
N 0.554025 -2.665786 -0.277509
C 0.509302 -1.185574 -0.137370
C 1.896473 -0.529261 -0.005228
C 1.523948 -3.274243 0.669470
C 2.979291 -2.806706 0.417297
C 3.063350 -1.291553 0.269324
C -0.438364 -0.770820 1.055773
C 2.001672 0.879355 -0.174965
C 0.725230 -3.122923 -1.675948
C -1.862492 -0.504051 0.593064
C 4.310244 -0.628475 0.376975
C 3.253494 1.541187 -0.054815
C 4.403497 0.767585 0.220962
C -2.375685 0.823697 0.592712
C -2.679259 -1.555451 0.105443
C -3.677149 1.074979 0.114771
C -3.984295 -1.301165 -0.373622
C -4.488252 0.011963 -0.372420
C 2.585107 3.867311 0.436217
C -3.583627 3.496390 0.546117
H 0.034752 -0.819837 -1.073963
H 1.447151 -4.374073 0.590831
H 1.221432 -2.997175 1.697609
H 3.367297 -3.289996 -0.502803
H 3.633726 -3.143771 1.244181
H -0.032786 0.122055 1.565035
H -0.417148 -1.596188 1.789505
H 1.664786 -2.774967 -2.166017
H -0.126449 -2.765266 -2.281941
H 0.716012 -4.227665 -1.696630
H 5.213466 -1.211695 0.591535
H 5.360189 1.292336 0.304106
H -1.761710 1.639451 0.992181
H -2.276875 -2.574134 0.098146
H 0.067906 1.123295 -0.645945
H -4.624286 -2.106726 -0.745891
H 1.529856 3.742814 0.143820
H 2.954264 4.862778 0.145011
H 2.692330 3.734093 1.530947
H -5.953280 1.247813 -0.753401
H -2.658165 3.652597 -0.040797
H -3.331691 3.385477 1.618200
H -4.260709 4.352087 0.408978


