%chk=000169014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169014

0 1
 O   -2.690100       2.340500     -0.7298000    
 N    1.959800     -0.3358000     -0.6355000    
 N   -1.278100      0.6768000      0.1310000    
 C    1.438100     -0.2204000      0.7447000    
 C    1.020900       1.223000       1.050000    
 C   0.2339000      -1.150800       1.037900    
 C    2.206400       2.176300      0.8481000    
 C   0.6418000      -2.593500      0.6698000    
 C  -0.1723000       1.628100      0.1845000    
 C    3.147400      0.5199000     -0.8158000    
 C    2.301000      -1.721700     -0.9857000    
 C   -1.105600     -0.6722000      0.4705000    
 C    2.857400       1.991300     -0.5201000    
 C    1.127100      -2.672200     -0.7714000    
 C   -2.152700      -1.511200      0.3456000    
 C   -2.495100       1.176700     -0.3773000    
 C   -3.423500      -1.063900     -0.1498000    
 C   -3.616200      0.2089000     -0.4966000    
 H    2.242300     -0.4997000       1.442900    
 H   0.7136000       1.284600       2.103200    
 H   9.2500001E-02  -1.140200       2.130100    
 H    2.956000       1.978600       1.625100    
 H    1.890400       3.218300      0.9740000    
 H  -0.1618000      -3.316000      0.8374000    
 H    1.457600      -2.908500       1.335000    
 H  -0.5600000       2.589500      0.5464000    
 H   0.1198000       1.799600     -0.8584000    
 H    3.501900      0.4466000      -1.851300    
 H    3.968000      0.1797000     -0.1699000    
 H    3.158000      -2.070900     -0.3943000    
 H    2.594500      -1.772300      -2.041400    
 H    2.210800       2.403700      -1.303400    
 H    3.791400       2.563900     -0.5598000    
 H    1.442600      -3.697300     -0.9967000    
 H   0.3124000      -2.429200      -1.463900    
 H   -2.104500      -2.554700      0.6317000    
 H   -4.226100      -1.788500     -0.2300000    
 H   -4.569200      0.5625000     -0.8715000    


%chk=000169014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169014

0 1
O -2.577164 2.399264 -0.739744
N 1.974840 -0.333501 -0.608874
N -1.265152 0.630857 0.106559
C 1.441743 -0.217534 0.777211
C 1.002352 1.240426 1.046094
C 0.249007 -1.169808 1.054104
C 2.195538 2.210224 0.861533
C 0.633317 -2.618837 0.653927
C -0.155475 1.623392 0.114890
C 3.170747 0.537189 -0.785250
C 2.299814 -1.729030 -1.003063
C -1.089035 -0.701984 0.459222
C 2.859284 2.022804 -0.523157
C 1.098773 -2.669431 -0.814656
C -2.178740 -1.572325 0.365987
C -2.521589 1.172040 -0.396412
C -3.444459 -1.100454 -0.094267
C -3.617086 0.227562 -0.458894
H 2.245440 -0.485931 1.517729
H 0.650186 1.294586 2.096807
H 0.108868 -1.150850 2.157030
H 2.942478 2.003473 1.654783
H 1.866839 3.258829 0.995106
H -0.193589 -3.326199 0.836149
H 1.469084 -2.939944 1.309394
H -0.599400 2.592972 0.397296
H 0.199343 1.723640 -0.925353
H 3.540778 0.404813 -1.819248
H 3.994735 0.208782 -0.095029
H 3.162659 -2.123560 -0.400613
H 2.620125 -1.715872 -2.061849
H 2.200568 2.405698 -1.323741
H 3.799165 2.604757 -0.574651
H 1.391687 -3.699202 -1.093066
H 0.274421 -2.361200 -1.484432
H -2.060695 -2.616038 0.660026
H -4.286727 -1.799123 -0.157772
H -4.572279 0.619015 -0.818478


