%chk=000058083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058083

0 1
 O   0.4973000      0.1654000      0.1729000    
 O  -0.9128000      -1.338900     -0.8162000    
 N   -1.708100      0.5675000      0.2852000    
 C    2.896000      7.3299997E-02  0.2171000    
 C    4.125700     -0.7563000     -0.1763000    
 C    2.982100       1.489300     -0.3682000    
 C    5.425800     -5.8400001E-02  0.2166000    
 C    4.284100       2.183500      2.4900001E-02
 C    5.503800       1.351900     -0.3598000    
 C    1.611300     -0.6195000     -0.2335000    
 C    1.503500      -1.958100      0.3536000    
 C  -0.7440000     -0.3039000     -0.1832000    
 C    1.420000      -3.057200      0.8295000    
 C   -3.111200      0.4708000      0.1442000    
 C   -3.918200       1.456200      0.6906000    
 C   -3.652800     -0.6071000     -0.5382000    
 C   -5.302800       1.361200      0.5512000    
 C   -5.037500     -0.7019000     -0.6777000    
 C   -5.862400      0.2822000     -0.1329000    
 H    2.880100      0.1739000       1.312500    
 H    4.126800     -0.9338000      -1.259600    
 H    4.114300      -1.738900      0.3078000    
 H    2.141500       2.101500     -2.1199999E-02
 H    2.913500       1.446300      -1.462800    
 H    6.280900     -0.6470000     -0.1345000    
 H    5.498300     -1.0500000E-02   1.310200    
 H    4.290300       2.361800       1.107300    
 H    4.339500       3.164500     -0.4604000    
 H    6.414700       1.846200     -3.7000000E-03
 H    5.576900       1.295700      -1.452900    
 H    1.604600     -0.6898000      -1.329500    
 H    1.345700      -4.032000       1.251700    
 H   -1.368800       1.379900      0.7948000    
 H   -3.492700       2.300900       1.225200    
 H   -3.080100      -1.406100     -0.9863000    
 H   -5.945300       2.127400      0.9752000    
 H   -5.474700      -1.541600      -1.210200    
 H   -6.940500      0.2083000     -0.2415000    


%chk=000058083-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058083

0 1
O 0.481555 -0.352687 0.787499
O -0.654805 -0.815393 -1.236927
N -1.706524 0.166816 0.650392
C 2.902965 -0.072534 0.384390
C 4.220696 -0.767712 -0.050749
C 2.658270 1.205096 -0.457850
C 5.422605 0.201965 0.037511
C 3.860633 2.174617 -0.372832
C 5.179319 1.483498 -0.793789
C 1.705936 -1.050303 0.263774
C 1.868833 -2.296194 1.030101
C -0.653161 -0.378070 -0.059958
C 2.010155 -3.337975 1.672611
C -3.043501 0.376279 0.210321
C -3.951587 0.949751 1.140323
C -3.488291 0.035517 -1.094256
C -5.292192 1.180360 0.771552
C -4.834267 0.274135 -1.446539
C -5.743527 0.843856 -0.526087
H 2.995882 0.214928 1.452442
H 4.115178 -1.122306 -1.098126
H 4.404110 -1.660396 0.575631
H 1.736005 1.709688 -0.115590
H 2.494372 0.913653 -1.516857
H 6.341862 -0.310234 -0.306402
H 5.589295 0.481440 1.098549
H 3.959914 2.542712 0.669597
H 3.671413 3.061724 -1.007591
H 6.031092 2.181906 -0.681047
H 5.123463 1.214844 -1.869193
H 1.512636 -1.281898 -0.804109
H 2.124808 -4.250321 2.228770
H -1.480640 0.433339 1.611403
H -3.607977 1.212549 2.149155
H -2.788720 -0.408215 -1.805572
H -5.982709 1.622110 1.498408
H -5.173107 0.008201 -2.454143
H -6.785190 1.021954 -0.812911


