%chk=000173619.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173619

0 1
 O   -1.865300     -0.5104000     -0.5411000    
 O  -0.9946000       3.085200      -1.705000    
 O   0.9679000      0.2252000       1.781400    
 N   0.3337000       1.250800     -0.2018000    
 N    4.776400     -0.6915000      0.1423000    
 N    7.638200     -0.4219000     -0.1668000    
 C   -3.283100      0.7594000       1.004100    
 C   -1.824400      0.3999000      0.5967000    
 C   -3.737300       2.129300      0.4508000    
 C  -0.9881000       1.627900      0.2261000    
 C   -3.995600     -0.3732000      0.3356000    
 C   -3.159600       2.445000     -0.9265000    
 C   -3.456900      0.7283000       2.527100    
 C   -1.645700       2.436900     -0.8851000    
 C   -3.129500      -1.033700     -0.5219000    
 C   -5.317000     -0.7787000      0.4440000    
 C   -3.536900      -2.099300      -1.302400    
 C   -5.748800      -1.861600     -0.3266000    
 C    1.214500      0.5690000      0.6285000    
 C   -4.863700      -2.517100      -1.195900    
 C    2.538600      0.2902000     -6.0800001E-02
 C    3.514200     -0.4581000      0.8413000    
 C    5.381100      0.5781000     -0.2794000    
 C    5.708800      -1.446800      0.9877000    
 C    6.705700      0.3351000      -1.010900    
 C    7.033000      -1.691000      0.2557000    
 C   -7.165200      -2.320800     -0.2296000    
 C    8.899400     -0.6562000     -0.8675000    
 H   -1.350300     -0.1683000       1.406100    
 H   -3.414600       2.922000       1.140000    
 H   -4.832100       2.187000      0.4076000    
 H  -0.8838000       2.283100       1.099300    
 H   -3.489500       3.442600      -1.236300    
 H   -3.493900       1.723800      -1.678400    
 H   -2.811700       1.470500       3.010300    
 H   -4.491700      0.9466000       2.815100    
 H   -3.204200     -0.2541000       2.943300    
 H   0.6383000       1.507400      -1.137100    
 H   -6.001000     -0.2583000       1.107100    
 H   -2.851000      -2.599700      -1.976900    
 H   -5.205100      -3.354900      -1.798900    
 H    2.340400     -0.2818000     -0.9752000    
 H    2.909700       1.280200     -0.3436000    
 H    3.066000      -1.419300       1.124100    
 H    3.673600      0.1049000       1.770700    
 H    5.544400       1.244800      0.5779000    
 H    4.757000       1.107900      -1.004200    
 H    5.272500      -2.420000       1.243600    
 H    5.901100     -0.9167000       1.930500    
 H    6.515500     -0.1938000      -1.955000    
 H    7.143900       1.308100      -1.264800    
 H    7.712200      -2.216300      0.9380000    
 H    6.861900      -2.349800     -0.6066000    
 H   -7.779000      -1.804400     -0.9742000    
 H   -7.242100      -3.400300     -0.3977000    
 H   -7.578600      -2.121600      0.7649000    
 H    9.369600      0.2949000      -1.140900    
 H    8.763700      -1.248400      -1.779600    
 H    9.608100      -1.181600     -0.2177000    


%chk=000173619-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173619

0 1
O -2.201073 -0.674005 -0.862468
O -1.081423 2.634483 -1.767348
O 1.034865 0.000360 1.737898
N 0.336392 0.865305 -0.290826
N 5.090082 -0.328396 0.288324
N 7.943648 -0.268186 -0.245998
C -3.296318 0.374904 1.107276
C -1.909265 -0.017111 0.465245
C -3.594171 1.899023 0.900000
C -0.991948 1.196211 0.203576
C -4.255158 -0.478739 0.268998
C -3.167080 2.395660 -0.497190
C -3.327291 0.026873 2.612668
C -1.693259 2.143094 -0.783502
C -3.566552 -1.025037 -0.835155
C -5.626433 -0.737453 0.431921
C -4.203641 -1.826289 -1.795660
C -6.314454 -1.545799 -0.516461
C 1.291251 0.291478 0.523459
C -5.586243 -2.076280 -1.615645
C 2.643591 0.019344 -0.137205
C 3.803591 0.115372 0.875664
C 5.683051 0.675296 -0.631416
C 6.080057 -0.713353 1.327374
C 6.961944 0.125975 -1.283418
C 7.353546 -1.270943 0.671928
C -7.802394 -1.820444 -0.369702
C 9.223319 -0.717280 -0.825027
H -1.374526 -0.758803 1.083070
H -3.072403 2.483420 1.684050
H -4.676346 2.073530 1.043182
H -0.891111 1.710838 1.185794
H -3.375082 3.472265 -0.638027
H -3.744454 1.866790 -1.283256
H -2.517145 0.548881 3.155458
H -4.289006 0.330273 3.066192
H -3.201161 -1.058308 2.770758
H 0.549739 1.175955 -1.244462
H -6.173226 -0.326057 1.290178
H -3.648707 -2.244705 -2.639925
H -6.110297 -2.705031 -2.345605
H 2.638089 -1.009715 -0.546658
H 2.793752 0.704935 -0.992485
H 3.556394 -0.540530 1.728882
H 3.865394 1.157346 1.280306
H 5.932429 1.622309 -0.087633
H 4.953194 0.919540 -1.424683
H 5.628440 -1.488708 1.973656
H 6.362579 0.156633 1.972616
H 6.687441 -0.739430 -1.940662
H 7.415532 0.908683 -1.920626
H 8.095683 -1.512901 1.456110
H 7.095457 -2.219246 0.133518
H -8.408866 -1.031040 -0.855824
H -8.083447 -2.781381 -0.835584
H -8.105836 -1.858016 0.691775
H 9.652724 0.087382 -1.449090
H 9.124699 -1.633518 -1.462275
H 9.940528 -0.940950 -0.014659


