%chk=000040833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040833

0 1
 O   0.2334000       1.019100      -1.042100    
 O   -3.117100      -1.588100      0.8080000    
 O    1.257500      -2.561200       1.736000    
 O   -1.910400      -1.174600      -2.007900    
 N   0.8188000     -0.6425000      0.4797000    
 N  -0.9196000      -2.012100       1.311800    
 C    2.225400     -0.4517000      0.2198000    
 C    2.533600     -0.6504000      -1.266600    
 C    2.677700      0.9285000      0.7027000    
 C    4.007800     -0.4000000      -1.573300    
 C    4.151400       1.178000      0.3923000    
 C   -1.505500      0.1756000      0.4041000    
 C    4.457100      0.9757000      -1.089000    
 C  -8.3700001E-02  0.2283000     -0.1519000    
 C   -2.492600      0.7290000     -0.6357000    
 C   -1.541600       1.069900       1.656600    
 C   -1.944500      -1.216800      0.8265000    
 C   0.4512000      -1.778600       1.226000    
 C   -2.568500     -0.1452000      -1.864900    
 C   -1.192000       2.479100       1.310800    
 C   -3.519200      0.3236000      -2.935500    
 C   -2.019300       3.514500       1.492600    
 H    2.813400      -1.193200      0.7748000    
 H    1.960200     -5.0000002E-04  -1.930300    
 H    2.276000      -1.676400      -1.559100    
 H    2.516300       1.012900       1.784800    
 H    2.100100       1.739200      0.2472000    
 H    4.182200     -0.4876000      -2.651700    
 H    4.617200      -1.173400      -1.089300    
 H    4.769900      0.4959000      0.9886000    
 H    4.424300       2.196800      0.6900000    
 H    5.532300       1.095100      -1.263300    
 H    3.949700       1.751900      -1.675000    
 H   -2.209700       1.728400     -0.9860000    
 H   -3.503900      0.7930000     -0.2146000    
 H  -0.8275000      0.7172000       2.412200    
 H   -2.530500       1.016500       2.131400    
 H   -1.196000      -2.896000       1.730400    
 H  -0.1907000       2.694300      0.9492000    
 H   -3.211800       1.309200      -3.293900    
 H   -3.503500     -0.3774000      -3.774800    
 H   -4.533900      0.3673000      -2.532200    
 H   -1.699200       4.522200       1.251400    
 H   -3.023300       3.378300       1.879000    


%chk=000040833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040833

0 1
O 0.178577 1.303381 -0.821789
O -3.172197 -1.487746 1.174336
O 1.301568 -2.613479 1.487233
O -1.703469 -1.217470 -1.855565
N 0.807475 -0.566352 0.426138
N -0.914175 -1.966544 1.343597
C 2.270428 -0.389969 0.094614
C 2.550556 -0.584656 -1.416084
C 2.833165 0.948120 0.629580
C 4.075021 -0.502961 -1.675880
C 4.357038 1.015638 0.356822
C -1.589275 0.257971 0.482138
C 4.668516 0.825106 -1.147361
C -0.147854 0.356208 -0.053873
C -2.578043 0.683956 -0.622154
C -1.716430 1.221743 1.740257
C -1.977804 -1.134871 0.988052
C 0.457943 -1.759218 1.108235
C -2.473705 -0.216944 -1.852624
C -1.538579 2.692196 1.424818
C -3.314895 0.155522 -3.057981
C -2.437761 3.650768 1.760501
H 2.766201 -1.213302 0.641300
H 2.028334 0.198544 -1.993273
H 2.155129 -1.564702 -1.743087
H 2.635284 1.028191 1.716279
H 2.331007 1.794671 0.128837
H 4.270263 -0.606508 -2.760310
H 4.582735 -1.354250 -1.176570
H 4.874003 0.224921 0.939076
H 4.753013 1.986184 0.712314
H 5.762723 0.846850 -1.314312
H 4.236670 1.671528 -1.719664
H -2.393422 1.732916 -0.914808
H -3.610298 0.627859 -0.225992
H -0.961057 0.905492 2.489300
H -2.713233 1.047767 2.186385
H -1.145311 -2.874266 1.760175
H -0.610024 2.975782 0.910710
H -2.872478 1.043726 -3.550302
H -3.338213 -0.673775 -3.781404
H -4.343462 0.428363 -2.760688
H -2.252809 4.708489 1.542343
H -3.379656 3.408921 2.269480


