%chk=000227156.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227156

0 1
 O    3.990800       1.617800     -1.8100001E-02
 O    1.561400       1.027700       1.103000    
 O    2.471000       3.037900      -1.023300    
 N   0.9298000      1.4500000E-02 -0.9250000    
 C   -3.389500      0.6343000       1.547100    
 C   -2.472500      0.2222000      0.4146000    
 C   -3.216700     -0.3521000     -0.6404000    
 C   -4.745400      0.2256000       1.010900    
 C   -4.616400     -0.3501000     -0.2732000    
 C   -1.096800      0.3530000      0.3414000    
 C   -2.581500     -0.8028000      -1.785400    
 C  -0.4567000     -0.1013000     -0.8131000    
 C   -5.979600      0.3604000       1.622200    
 C   -5.733300     -0.7982000     -0.9586000    
 C   -1.191500     -0.6731000      -1.866000    
 C   -7.105200     -9.1499999E-02  0.9309000    
 C   -6.983400     -0.6649000     -0.3466000    
 C    3.273800      0.4903000     -0.4987000    
 C    1.833900      0.5470000      6.8000001E-03
 C    3.975800     -0.7654000     -3.6600001E-02
 C    4.663200     -0.7545000       1.166100    
 C    3.918800      -1.903300     -0.8247000    
 C    5.311500      -1.913600       1.592500    
 C    4.566900      -3.062500     -0.3981000    
 C    5.263200      -3.067600      0.8105000    
 C    3.476900       2.840200     -0.3554000    
 C    4.331600       3.930000      0.2174000    
 H   -3.345900       1.715600       1.707000    
 H   -3.150800      8.0799997E-02   2.459900    
 H  -0.6023000      0.8021000       1.189200    
 H   -3.135200      -1.246400      -2.606200    
 H   -6.075300      0.8027000       2.607500    
 H   -5.655200      -1.242700      -1.945100    
 H  -0.6837000      -1.024100      -2.761900    
 H   -8.088500      5.0000002E-04   1.384400    
 H   -7.874600      -1.009200     -0.8648000    
 H    1.322200     -0.3416000      -1.793800    
 H    3.299500      0.5304000      -1.595900    
 H    4.703900      0.1262000       1.800100    
 H    3.379200      -1.910100      -1.767300    
 H    5.850900      -1.918900       2.535100    
 H    4.529100      -3.961200      -1.006800    
 H    5.767000      -3.970400       1.143100    
 H    5.343300       3.859500     -0.1897000    
 H    4.348500       3.852300       1.307400    
 H    3.912100       4.902200     -5.6600001E-02


%chk=000227156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227156

0 1
O 3.637676 1.290709 -0.352132
O 1.534204 -0.755385 1.269729
O 2.579552 1.733837 -2.382997
N 0.823300 0.104616 -0.806245
C -3.610721 -0.689913 1.653377
C -2.663416 -0.251609 0.541923
C -3.411433 0.296848 -0.543763
C -4.983925 -0.334622 1.093165
C -4.844844 0.246304 -0.206038
C -1.263473 -0.334414 0.504304
C -2.737824 0.772269 -1.691454
C -0.591463 0.145735 -0.655509
C -6.256044 -0.502814 1.666435
C -5.984434 0.658932 -0.932613
C -1.332971 0.695088 -1.741980
C -7.399528 -0.087965 0.936899
C -7.262343 0.487508 -0.351340
C 3.225443 -0.177750 -0.456070
C 1.778281 -0.308887 0.110883
C 4.271456 -0.981467 0.268934
C 4.492275 -0.817343 1.660325
C 5.053814 -1.914338 -0.455108
C 5.486531 -1.576543 2.311570
C 6.044180 -2.680733 0.199292
C 6.262935 -2.511066 1.585160
C 3.285572 2.120562 -1.412265
C 3.831811 3.514535 -1.220646
H -3.400630 -0.162298 2.604408
H -3.518168 -1.772613 1.868358
H -0.681738 -0.748598 1.330043
H -3.290248 1.198204 -2.536025
H -6.369548 -0.947653 2.661965
H -5.886592 1.104517 -1.929198
H -0.796704 1.062638 -2.625632
H -8.397908 -0.212769 1.371144
H -8.156990 0.801922 -0.900745
H 1.200980 0.514526 -1.676270
H 3.215114 -0.422218 -1.534851
H 3.879765 -0.108652 2.223739
H 4.888209 -2.044230 -1.532055
H 5.652953 -1.446451 3.386503
H 6.641554 -3.402228 -0.368692
H 7.031381 -3.102212 2.096105
H 4.856558 3.481334 -0.818554
H 3.203887 4.057104 -0.490372
H 3.807814 4.055281 -2.177904


