%chk=000166983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166983

0 1
 O   0.1652000       1.179000      0.7446000    
 O    1.735800      0.7459000       2.483400    
 O    4.280900       1.787100      0.6530000    
 O   -4.333400       2.450100     -0.7607000    
 O    5.788200      0.3346000      -1.134300    
 O   -5.958500      0.2085000     -0.5423000    
 N   0.2405000      -2.517600      0.1458000    
 C   0.3467000      -1.087200     -0.2201000    
 C  -0.4092000     -0.1353000      0.7567000    
 C    1.801000     -0.6886000     -0.4640000    
 C   -1.891600     -4.3299999E-02  0.4013000    
 C   -1.107200      -3.076000      1.7000000E-03
 C   -2.185500      -2.520300      0.9392000    
 C    2.366700      0.4063000      0.2049000    
 C   -2.721500      -1.180200      0.4977000    
 C    1.531400       1.212300       1.155200    
 C   0.8693000      -2.888100       1.412800    
 C    2.586300      -1.403200      -1.385900    
 C   -2.463600       1.168900     -3.0500000E-02
 C    3.710900      0.7409000     -1.3700000E-02
 C   -4.087600      -1.072900      0.1798000    
 C   -3.819800       1.257900     -0.3474000    
 C    3.919200      -1.056900      -1.606500    
 C    4.483300      1.0900000E-02 -0.9154000    
 C   -4.632800      0.1377000     -0.2401000    
 C    4.898100       1.495600       1.903700    
 C   -4.839100       3.322500      0.2479000    
 C    6.057800       1.272700      -2.174200    
 C   -6.331400     -6.1200000E-02  -1.892500    
 H  -0.1107000     -0.9646000      -1.214500    
 H  -0.3545000     -0.4786000       1.795800    
 H   -1.041200      -4.160100      0.1643000    
 H   -1.428900      -2.969700      -1.043000    
 H   -1.841800      -2.452900       1.977300    
 H   -3.007400      -3.248400      0.9594000    
 H    1.831700       2.265200       1.111100    
 H    1.924800      -2.598100       1.436900    
 H   0.8582000      -3.977300       1.536000    
 H   0.3823000      -2.451200       2.288700    
 H    2.163300      -2.240700      -1.935400    
 H   -1.856400       2.065700     -0.1300000    
 H   -4.734100      -1.944800      0.2575000    
 H    4.511100      -1.627600      -2.316900    
 H    1.572300       1.496200       3.079600    
 H    4.874600       2.399900       2.518000    
 H    5.941900       1.214000       1.735200    
 H    4.387500      0.6909000       2.441800    
 H   -4.043100       3.606800      0.9433000    
 H   -5.661600       2.847200      0.7917000    
 H   -5.217600       4.225600     -0.2387000    
 H    5.568200       2.229500      -1.967200    
 H    5.723700      0.8806000      -3.140100    
 H    7.138200       1.435000      -2.217400    
 H   -5.859700      0.6547000      -2.572900    
 H   -7.416900      4.1200001E-02  -1.974900    
 H   -6.053800      -1.083100      -2.170000    


%chk=000166983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166983

0 1
O 0.132569 1.200374 0.573642
O 1.782552 0.975834 2.327252
O 4.278867 1.868465 0.445725
O -4.353679 2.488339 -0.720036
O 5.937011 0.104921 -1.166139
O -6.071443 0.117305 -0.441626
N 0.257689 -2.590075 0.154611
C 0.356728 -1.171371 -0.286638
C -0.399011 -0.181335 0.676600
C 1.827323 -0.793429 -0.495404
C -1.896675 -0.101895 0.390374
C -1.089400 -3.185144 0.040347
C -2.185164 -2.600942 0.990851
C 2.391186 0.369660 0.078091
C -2.731810 -1.250112 0.547536
C 1.541617 1.301641 0.909091
C 0.974511 -2.940268 1.398465
C 2.649278 -1.633044 -1.286404
C -2.470335 1.120001 -0.028213
C 3.753437 0.687431 -0.137297
C -4.110164 -1.131356 0.250757
C -3.848831 1.231102 -0.299562
C 4.001440 -1.313068 -1.516587
C 4.564159 -0.145075 -0.953844
C -4.678627 0.083124 -0.186871
C 5.102598 1.608673 1.653012
C -5.319083 3.096900 0.223409
C 6.260876 1.396727 -1.816171
C -6.435386 0.476071 -1.832144
H -0.150883 -1.122524 -1.272411
H -0.223768 -0.525220 1.717775
H -0.984265 -4.267724 0.249055
H -1.433708 -3.079892 -1.007111
H -1.762304 -2.537761 2.015102
H -3.019765 -3.325024 1.045355
H 1.793079 2.358568 0.712999
H 2.015513 -2.581949 1.338430
H 0.994076 -4.041168 1.496272
H 0.532072 -2.526280 2.334977
H 2.214343 -2.548210 -1.700647
H -1.843129 2.007716 -0.129387
H -4.774727 -1.996922 0.347433
H 4.643639 -1.951633 -2.131415
H 1.333852 1.669380 2.878788
H 5.459553 2.595805 1.985439
H 5.959401 0.956879 1.400331
H 4.474466 1.142581 2.433662
H -4.820500 3.320296 1.186024
H -6.180889 2.426478 0.396499
H -5.647883 4.032860 -0.253905
H 5.862133 2.243305 -1.230948
H 5.846424 1.418255 -2.842272
H 7.360240 1.432697 -1.855997
H -6.006174 1.454322 -2.113623
H -7.535430 0.515233 -1.846531
H -6.077402 -0.304020 -2.531021


