%chk=000013968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013968

0 1
 O    2.412700      -1.856200      0.7805000    
 O  -7.8000002E-02   1.599900      -1.035500    
 O   -2.029600      -1.887600       1.414700    
 N    1.181500     -5.2999998E-03  5.8499999E-02
 N   -1.206700     -9.6000001E-02  0.1303000    
 C    2.375900      0.7903000     -9.2299998E-02
 C    3.117200      0.9130000       1.241600    
 C    3.278800      0.2018000      -1.179200    
 C    4.413100       1.705900       1.093400    
 C    4.575400      0.9943000      -1.323500    
 C    5.310800       1.118800      8.0000004E-03
 C   8.6300001E-02  -2.155200      0.3711000    
 C    1.343900      -1.336000      0.4599000    
 C  -4.6599999E-02  0.5904000     -0.3238000    
 C   -1.163400      -1.380900      0.7001000    
 C  -3.6400001E-02  -2.770900      -1.019900    
 C   -2.489000      0.5714000      4.9699999E-02
 C   -1.237600      -3.691800      -1.113000    
 C   -3.648900     -0.1821000     -8.3200000E-02
 C   -2.545300       1.958800      0.1051000    
 C   -4.884000      0.4614000     -0.1619000    
 C   -3.780400       2.602300      2.6300000E-02
 C   -4.949600       1.853700     -0.1070000    
 H    2.109500       1.809400     -0.3996000    
 H    3.379300     -5.0200000E-02   1.685800    
 H    2.471400       1.413800       1.974300    
 H    2.747600      0.2031000      -2.139500    
 H    3.547800     -0.8413000     -0.9870000    
 H    4.949600       1.720500       2.049000    
 H    4.176500       2.748200      0.8461000    
 H    4.349000       1.996000      -1.709500    
 H    5.225300      0.5092000      -2.060500    
 H    6.197900       1.749400     -0.1182000    
 H    5.663700      0.1291000      0.3230000    
 H   0.1786000      -2.950200       1.123700    
 H   0.8714000      -3.343200      -1.248700    
 H  -0.1161000      -1.997400      -1.793700    
 H   -1.223200      -4.447700     -0.3212000    
 H   -2.182000      -3.143300      -1.055000    
 H   -1.229000      -4.216500      -2.074300    
 H   -3.644100      -1.262100     -0.1852000    
 H   -1.675700       2.583900      0.2770000    
 H   -5.793800     -0.1204000     -0.2777000    
 H   -3.833700       3.685600      8.4100001E-02
 H   -5.911300       2.354700     -0.1675000    


%chk=000013968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013968

0 1
O 2.348972 -1.933936 0.896625
O -0.086683 1.743283 -0.688603
O -2.353172 -1.902943 1.168222
N 1.179112 -0.081513 0.068188
N -1.255868 -0.090017 0.168833
C 2.441560 0.718141 -0.159488
C 3.178989 1.027291 1.166378
C 3.369059 0.048488 -1.201216
C 4.405294 1.930386 0.882186
C 4.592464 0.959575 -1.471032
C 5.350316 1.288867 -0.162167
C -0.027733 -2.221220 0.503693
C 1.259013 -1.407516 0.542965
C -0.053021 0.586408 -0.198771
C -1.302512 -1.418380 0.679046
C -0.069121 -3.012086 -0.860815
C -2.505539 0.661284 0.065808
C -1.179000 -4.079400 -0.913938
C -3.495249 0.223315 -0.839039
C -2.717928 1.794728 0.878126
C -4.713755 0.929863 -0.930912
C -3.935634 2.501372 0.776882
C -4.935705 2.070372 -0.125290
H 2.081338 1.672156 -0.585048
H 3.507830 0.082949 1.635036
H 2.487608 1.532183 1.868586
H 2.808114 -0.125928 -2.139816
H 3.712791 -0.930847 -0.823248
H 4.949189 2.121346 1.826964
H 4.060645 2.915811 0.505240
H 4.254373 1.904590 -1.944576
H 5.269262 0.463812 -2.192931
H 6.198665 1.967652 -0.374649
H 5.779548 0.355994 0.256979
H 0.020738 -2.963456 1.317896
H 0.920797 -3.491664 -0.976245
H -0.183121 -2.291192 -1.694591
H -1.034901 -4.839568 -0.125134
H -2.181967 -3.642342 -0.770768
H -1.160459 -4.594499 -1.891465
H -3.317184 -0.662335 -1.457711
H -1.938692 2.124601 1.572353
H -5.486042 0.591019 -1.629638
H -4.102781 3.384782 1.402196
H -5.880811 2.619177 -0.199813


