%chk=000176849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176849

0 1
 O   -1.254700      0.8173000      0.1192000    
 O   -3.219400       1.395000     -0.9207000    
 O    3.906500      0.1659000     -9.9100001E-02
 N   -3.050200     -0.4961000      0.4124000    
 N  -0.7182000       1.851200      -3.075200    
 C   -4.410700     -0.9664000      0.2802000    
 C   -4.443300      -2.358400     -0.3703000    
 C   -5.107500     -0.9990000       1.649000    
 C   -3.761900      -2.388900      -1.732600    
 C   -5.107000      0.3557000       2.346100    
 C   -2.572200      0.6433000     -0.1990000    
 C  -0.6219000       1.969300     -0.4494000    
 C   0.7975000       2.059300      6.0800001E-02
 C    1.698600       1.058100     -0.2618000    
 C    1.169500       3.141700      0.8409000    
 C    3.008900       1.141600      0.2089000    
 C    2.479900       3.225100       1.311800    
 C    3.399500       2.225100      0.9958000    
 C  -0.6738000       1.902700      -1.916600    
 C    3.491800      -1.150200      1.7400000E-02
 C    2.785300      -1.536900       1.142000    
 C    3.794900      -2.044100     -0.9934000    
 C    2.367600      -2.862600       1.259400    
 C    3.377200      -3.369800     -0.8761000    
 C    2.663500      -3.779000      0.2503000    
 H   -4.960700     -0.2726000     -0.3679000    
 H   -5.484500      -2.682500     -0.4868000    
 H   -3.950200      -3.090500      0.2816000    
 H   -6.144700      -1.332100       1.522400    
 H   -4.614700      -1.727500       2.305200    
 H   -2.408100      -1.033800      0.9870000    
 H   -4.204300      -1.650600      -2.408900    
 H   -2.689400      -2.187100      -1.652500    
 H   -3.879300      -3.377700      -2.187700    
 H   -4.093000      0.6780000       2.601800    
 H   -5.565700       1.122300       1.713400    
 H   -5.680300      0.2978000       3.277000    
 H   -1.179300       2.853900     -0.1132000    
 H    1.385900      0.2277000     -0.8895000    
 H   0.4636000       3.927100       1.094800    
 H    2.784100       4.068500       1.924700    
 H    4.418700       2.295300       1.365800    
 H    2.562800     -0.8486000       1.952100    
 H    4.350100      -1.726900      -1.871000    
 H    1.816300      -3.182700       2.138800    
 H    3.607700      -4.083400      -1.661700    
 H    2.339300      -4.811500      0.3422000    


%chk=000176849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176849

0 1
O -1.479496 -0.228613 -1.000932
O -2.996189 1.579573 -0.768972
O 3.859419 0.346892 0.918099
N -3.508174 -0.605554 -0.047827
N 0.582489 -0.478857 -3.693222
C -4.865588 -0.348336 0.485274
C -5.927449 -1.155468 -0.307172
C -4.918178 -0.656364 2.005110
C -5.995727 -0.786887 -1.803146
C -3.969227 0.221370 2.846525
C -2.721769 0.361588 -0.606512
C -0.502276 0.749392 -1.591174
C 0.502324 1.198336 -0.536984
C 1.715399 0.500108 -0.332578
C 0.176603 2.321930 0.262881
C 2.592371 0.929639 0.688498
C 1.072443 2.743310 1.270019
C 2.281732 2.051272 1.490242
C 0.099674 0.063217 -2.747769
C 4.103260 -1.027251 0.645854
C 3.162423 -2.040922 0.941214
C 5.390421 -1.342159 0.160620
C 3.522991 -3.390003 0.727764
C 5.737740 -2.695838 -0.042362
C 4.806393 -3.723963 0.235437
H -5.043963 0.732088 0.328704
H -6.911785 -0.975920 0.168272
H -5.720020 -2.240014 -0.190715
H -5.962719 -0.511700 2.344030
H -4.685891 -1.730315 2.164767
H -3.126696 -1.553046 -0.000146
H -6.249329 0.280812 -1.937129
H -5.027409 -0.965333 -2.304328
H -6.762456 -1.387490 -2.324884
H -2.919380 0.096520 2.525102
H -4.224948 1.292092 2.743539
H -4.029916 -0.042005 3.917899
H -1.093212 1.619895 -1.940231
H 1.979244 -0.351009 -0.969358
H -0.770700 2.846792 0.100194
H 0.829343 3.614606 1.886986
H 2.992412 2.363225 2.261172
H 2.174979 -1.784253 1.337553
H 6.093724 -0.530436 -0.047411
H 2.798871 -4.180458 0.953865
H 6.734723 -2.945276 -0.421465
H 5.077717 -4.772188 0.072297


