%chk=000173759.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173759

0 1
 O   -5.931300      -1.119600      0.3768000    
 O   -2.731500       2.349600      0.3111000    
 O    1.794800       3.892700     -9.6199997E-02
 N  -0.6310000       1.347800      0.3835000    
 N    2.140200       1.596800      6.9300003E-02
 C   -2.619100      6.6500001E-02 -0.2899000    
 C    1.641800      0.3533000      0.6743000    
 C   0.1929000      0.1447000      0.2225000    
 C   -3.011000     -0.7583000      0.9368000    
 C   -3.824000      0.3424000      -1.189900    
 C   -3.724100      -2.051800      0.5400000    
 C   -4.532800     -0.9522000      -1.589300    
 C   -4.922500      -1.793300     -0.3730000    
 C   -2.011600       1.360100      0.1587000    
 C    2.484600     -0.8751000      0.3792000    
 C   2.8200001E-02   2.572700      0.8283000    
 C    3.508500       1.638300     -0.4352000    
 C    3.798600      0.4368000      -1.322800    
 C    1.385200       2.764300      0.1772000    
 C    3.512500     -0.8392000     -0.5800000    
 C    2.239500      -2.073000       1.068900    
 C    4.244900      -1.999600     -0.8640000    
 C    2.984300      -3.219600      0.7916000    
 C    3.982600      -3.184200     -0.1779000    
 H   -1.913600     -0.5073000     -0.8982000    
 H    1.669200      0.5245000       1.759600    
 H   0.1773000     -0.1082000     -0.8458000    
 H  -0.2569000     -0.6874000      0.7660000    
 H   -3.674500     -0.1659000       1.581500    
 H   -2.147100      -1.005100       1.560600    
 H   -3.503900      0.8766000      -2.093300    
 H   -4.547200      0.9963000     -0.6856000    
 H   -3.012700      -2.713400      3.0999999E-02
 H   -4.054800      -2.562500       1.452000    
 H   -5.426400     -0.6972000      -2.171100    
 H   -3.873700      -1.538400      -2.241100    
 H   -5.343700      -2.750100     -0.7007000    
 H   0.1600000       2.509900       1.914000    
 H  -0.5964000       3.443800      0.6069000    
 H    4.173300       1.654100      0.4376000    
 H    3.676600       2.566000     -0.9922000    
 H    4.847700      0.4711000      -1.638300    
 H    3.172000      0.4652000      -2.222400    
 H    1.460900      -2.120900       1.826300    
 H    5.028600      -1.984400      -1.617200    
 H   -6.688900     -0.9752000     -0.2152000    
 H    2.781800      -4.141100       1.329500    
 H    4.558400      -4.078300     -0.3981000    


%chk=000173759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173759

0 1
O -5.478353 -1.252328 1.470546
O -2.641079 2.476980 -0.092996
O 2.147392 3.856041 0.004467
N -0.619569 1.469230 -0.592120
N 2.067983 1.549419 0.336703
C -2.713794 0.056401 -0.497060
C 1.342262 0.255574 0.287976
C 0.276106 0.334953 -0.840492
C -2.615366 -0.752332 0.833257
C -4.202455 0.278221 -0.865120
C -3.358965 -2.103536 0.723609
C -4.957299 -1.064598 -0.970265
C -4.830736 -1.913401 0.315276
C -2.001231 1.415148 -0.377427
C 2.282346 -0.934956 0.067219
C 0.046693 2.784042 -0.516284
C 3.471422 1.527369 0.801822
C 4.296605 0.614014 -0.123718
C 1.500146 2.763348 -0.033754
C 3.673644 -0.773824 -0.176656
C 1.728752 -2.240164 0.106326
C 4.469807 -1.923720 -0.406051
C 2.528598 -3.377377 -0.125134
C 3.908595 -3.217546 -0.392763
H -2.247292 -0.542212 -1.308718
H 0.796122 0.102083 1.245566
H 0.798450 0.453294 -1.811853
H -0.293202 -0.602786 -0.873216
H -3.074877 -0.154872 1.641830
H -1.557905 -0.929080 1.114772
H -4.275747 0.830626 -1.820237
H -4.659410 0.920804 -0.092815
H -2.869045 -2.753606 -0.029837
H -3.326749 -2.634042 1.692891
H -6.028278 -0.880340 -1.193450
H -4.559164 -1.659407 -1.818759
H -5.302244 -2.907490 0.152157
H -0.541273 3.430820 0.158393
H 0.044683 3.290365 -1.502342
H 3.511109 1.152073 1.843375
H 3.830446 2.568659 0.783508
H 5.338671 0.547954 0.240822
H 4.334662 1.070075 -1.132469
H 0.663108 -2.371835 0.336191
H 5.544750 -1.797697 -0.584568
H -6.408826 -1.016206 1.226316
H 2.084881 -4.378091 -0.088221
H 4.541323 -4.093846 -0.570894


