%chk=000173220.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173220

1 1
 O  -0.7057000      -1.845700      -2.348800    
 O   -2.340100      -1.604200     -0.7827000    
 O    2.885400       2.364600       1.324400    
 N   0.4908000      -2.568600      0.5099000    
 N    2.775900      0.9678000     -0.5288000    
 C    1.432600      -1.694700     -0.2314000    
 C  -0.5368000      -3.195900     -0.4425000    
 C    2.454900      -1.125500      0.7438000    
 C  -0.2726000      -1.768700       1.574800    
 C    1.242300      -3.705900       1.216000    
 C    3.433600     -0.1745000      6.2600002E-02
 C   -1.312000      -2.138900      -1.170300    
 C  -0.4596000       2.412600     -1.4000000E-02
 C   0.4814000       2.688100      -1.187400    
 C   -1.836800       1.954900     -0.5001000    
 C    1.844900       3.177000     -0.7039000    
 C   -2.787900       1.716600      0.6748000    
 C    2.556300       2.151400      0.1607000    
 C   -4.188800       1.279700      0.2416000    
 C   -5.157900       1.109900       1.401400    
 H   0.8695000     -0.8779000     -0.6926000    
 H    1.917600      -2.287400      -1.016000    
 H   1.3000000E-03  -3.840700      -1.147100    
 H   -1.223600      -3.821800      0.1386000    
 H    3.064200      -1.915100       1.193900    
 H    1.979600     -0.5676000       1.556100    
 H   0.3791000      -1.578600       2.431600    
 H   -1.123000      -2.369100       1.913400    
 H  -0.6164000     -0.8280000       1.137900    
 H   0.5014000      -4.424900       1.580400    
 H    1.799100      -3.315700       2.071200    
 H    1.905300      -4.185500      0.4900000    
 H    4.173800      0.1782000      0.7894000    
 H    3.971700     -0.6901000     -0.7401000    
 H  -3.8899999E-02   1.639400      0.6389000    
 H  -0.5677000       3.321900      0.5900000    
 H   0.5767000       1.787400      -1.803800    
 H   4.3200001E-02   3.461200      -1.830400    
 H    2.503300      0.8952000      -1.504000    
 H   -1.734600       1.036300      -1.088200    
 H   -2.263400       2.716400      -1.164000    
 H    1.735700       4.101300     -0.1250000    
 H    2.485500       3.404900      -1.563800    
 H   -2.868900       2.638900       1.263600    
 H   -2.364600      0.9544000       1.339900    
 H   -4.600800       2.023100     -0.4514000    
 H   -4.125800      0.3358000     -0.3103000    
 H   -1.188800      -1.151200      -2.845300    
 H   -5.279600       2.049600       1.949400    
 H   -6.140900      0.7996000       1.033800    
 H   -4.798500      0.3482000       2.100600    


%chk=000173220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173220

1 1
O -2.480755 -3.419498 0.183165
O -1.427565 -1.345339 0.300448
O 2.757235 0.766303 1.480988
N 1.131650 -2.736203 0.908590
N 2.345547 1.006099 -0.797272
C 1.483137 -1.889504 -0.358681
C -0.191398 -3.477535 0.703645
C 2.953928 -1.445290 -0.417752
C 1.049403 -1.830794 2.149859
C 2.197929 -3.809793 1.139020
C 3.141716 -0.152061 -1.257302
C -1.396400 -2.589272 0.377306
C -0.808900 2.357970 0.270820
C 0.429063 3.209453 -0.090286
C -2.066886 2.747291 -0.538416
C 1.694834 2.851937 0.729625
C -3.314588 1.918292 -0.157589
C 2.296010 1.460494 0.514287
C -4.567298 2.287661 -0.984639
C -5.807541 1.450401 -0.605316
H 0.811613 -1.017888 -0.325975
H 1.211977 -2.518805 -1.226002
H -0.061435 -4.209736 -0.111733
H -0.417120 -4.042048 1.625392
H 3.590044 -2.228948 -0.867949
H 3.337892 -1.213608 0.588458
H 1.941920 -1.187457 2.193854
H 0.975224 -2.471407 3.042832
H 0.164143 -1.187146 2.053980
H 1.869230 -4.469988 1.956758
H 3.141926 -3.324582 1.418331
H 2.333318 -4.392434 0.214621
H 4.221481 0.094352 -1.229112
H 2.874821 -0.334210 -2.314388
H -0.594243 1.280677 0.110451
H -1.019887 2.475359 1.353807
H 0.624487 3.145583 -1.183059
H 0.198627 4.276290 0.096194
H 1.973190 1.628067 -1.518362
H -1.861946 2.623109 -1.622884
H -2.282308 3.825046 -0.386126
H 1.480457 2.930791 1.809509
H 2.498059 3.586629 0.515064
H -3.535086 2.062427 0.920859
H -3.089756 0.838693 -0.287499
H -4.792450 3.363949 -0.844323
H -4.346038 2.156165 -2.063610
H -3.312239 -2.907412 -0.015413
H -6.068197 1.586615 0.461087
H -6.689108 1.738674 -1.205575
H -5.626319 0.370833 -0.772891


