%chk=000146604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146604

0 1
 O    2.898500      0.1131000     -0.2037000    
 O   0.2177000      -4.615100      0.3714000    
 O    2.374600      -4.614600     -0.7019000    
 O   -4.550900      0.7800000       1.961300    
 O   -3.048500      0.8411000      -2.586000    
 O   -5.113200      0.9672000     -0.7449000    
 N    3.483000       2.296200      0.4411000    
 C    1.108800       1.555400      0.6174000    
 C    2.602500       1.171300      0.7195000    
 C   0.2379000      0.3246000       1.014500    
 C    4.897200       1.929700      0.5131000    
 C    3.297400       2.830100     -0.9078000    
 C    5.588000       3.097900     -0.1749000    
 C    4.535500       3.691700      -1.106100    
 C   0.8558000     -0.9873000      0.5550000    
 C   0.7485000       2.768300       1.489300    
 C    2.137400      -1.012000     -3.3000000E-02
 C   -1.202800      0.4979000      0.5413000    
 C   0.1681000      -2.202100      0.7396000    
 C    2.701300      -2.205000     -0.5018000    
 C   -1.472400      0.5918000     -0.8188000    
 C   -2.230600      0.5602000       1.475000    
 C   0.7531000      -3.367000      0.2851000    
 C    1.982900      -3.367200     -0.3257000    
 C   -3.547100      0.7187000       1.042100    
 C   -2.788900      0.7505000      -1.251700    
 C   -3.826300      0.8138000     -0.3213000    
 C    1.249700      -5.400800     -0.2590000    
 C   -5.161000     -0.4529000       2.337700    
 C   -3.303100     -0.3781000      -3.280900    
 C   -5.593100       2.302300     -0.8860000    
 H   0.8922000       1.812400     -0.4274000    
 H    2.817000      0.8193000       1.739400    
 H   0.2426000      0.2666000       2.113600    
 H    5.133100       1.007400     -3.1599998E-02
 H    5.238600       1.815700       1.547000    
 H    2.394100       3.439500      -1.009100    
 H    3.277600       2.049500      -1.678400    
 H    6.477100       2.772100     -0.7243000    
 H    5.902700       3.850800      0.5573000    
 H    4.336100       4.732200     -0.8236000    
 H    4.867500       3.684900      -2.149200    
 H    1.307800       3.660800       1.193100    
 H  -0.3136000       3.018300       1.404000    
 H   0.9658000       2.571300       2.544600    
 H  -0.8046000      -2.233800       1.219700    
 H    3.678700      -2.217400     -0.9726000    
 H  -0.6744000      0.5348000      -1.554500    
 H   -2.019700      0.4881000       2.538700    
 H    1.605700      -6.151200      0.4561000    
 H   0.8188000      -5.916400      -1.125000    
 H   -5.943800     -0.2383000       3.070100    
 H   -4.425000      -1.120300       2.797100    
 H   -5.617700     -0.9380000       1.469200    
 H   -3.497500     -0.1401000      -4.330300    
 H   -4.182800     -0.8811000      -2.867300    
 H   -2.432100      -1.038900      -3.227000    
 H   -6.630300       2.258700      -1.229300    
 H   -5.001900       2.847900      -1.628300    
 H   -5.564700       2.825700      7.4900001E-02


%chk=000146604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146604

0 1
O 3.086324 0.074331 -0.260974
O 0.309486 -4.775578 -0.140214
O 2.477150 -4.716394 -1.161111
O -4.342570 0.908086 2.308068
O -3.171989 0.486124 -2.490771
O -5.188628 0.909372 -0.473740
N 3.534815 2.326723 0.444446
C 1.183205 1.477046 0.581226
C 2.697939 1.220615 0.722353
C 0.383957 0.191705 0.986789
C 4.961994 2.264268 0.863294
C 3.407393 3.047346 -0.859594
C 5.567408 3.515833 0.197091
C 4.845668 3.543926 -1.176675
C 1.009278 -1.090096 0.415626
C 0.748031 2.686253 1.436057
C 2.301786 -1.083538 -0.179691
C -1.093253 0.335213 0.601254
C 0.284776 -2.318189 0.487910
C 2.885541 -2.260942 -0.736300
C -1.484615 0.310825 -0.760880
C -2.086100 0.493933 1.592869
C 0.867143 -3.464368 -0.043576
C 2.141238 -3.432921 -0.651696
C -3.448961 0.666309 1.248606
C -2.837027 0.468035 -1.114878
C -3.834210 0.685447 -0.119472
C 1.439421 -5.620357 -0.594553
C -5.575117 0.090229 2.352882
C -4.074711 -0.606949 -2.922016
C -5.414880 2.210732 -1.151307
H 0.977757 1.688759 -0.486987
H 2.929773 0.817245 1.730207
H 0.426263 0.130067 2.096198
H 5.460549 1.343357 0.489528
H 5.042215 2.281122 1.965984
H 2.699030 3.893889 -0.762913
H 3.034033 2.373239 -1.654487
H 6.665125 3.456144 0.104047
H 5.313833 4.416784 0.785494
H 4.851296 4.543369 -1.643803
H 5.341477 2.840635 -1.870349
H 1.274434 3.603297 1.124539
H -0.339460 2.853624 1.348913
H 0.982129 2.515394 2.504794
H -0.715807 -2.343673 0.928949
H 3.876074 -2.217864 -1.193242
H -0.754427 0.141698 -1.558936
H -1.826108 0.498611 2.656864
H 1.870136 -6.153923 0.275866
H 1.086666 -6.298744 -1.385561
H -6.124586 0.452557 3.235154
H -5.316158 -0.978239 2.484947
H -6.171318 0.225170 1.435865
H -4.256306 -0.429989 -3.993152
H -5.024069 -0.579589 -2.357650
H -3.577517 -1.585364 -2.781112
H -6.490423 2.237955 -1.384795
H -4.815537 2.269603 -2.077301
H -5.152266 3.042048 -0.471287


