%chk=000099434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099434

0 1
 O   -2.126900     -0.6241000       1.129500    
 O   -2.604400     -0.2365000      -1.113700    
 O    2.001200       1.446600      0.4958000    
 N   -3.947500      0.5917000      0.5856000    
 N    4.177800      0.9517000     -0.1175000    
 N    2.529400     -0.7593000     -4.1900001E-02
 C   -4.929300       1.264200     -0.2456000    
 C   -5.981400       1.928600      0.6499000    
 C   -4.223500       2.327600      -1.093400    
 C   -5.607700      0.2376000      -1.160000    
 C   -2.872800     -9.9900000E-02  7.6300003E-02
 C    5.168500     -3.9900001E-02 -0.5309000    
 C    4.664000       2.320200      4.4999998E-03
 C    2.832400      0.6053000      0.1473000    
 C    1.306000      -1.406400      0.1347000    
 C   -1.005900      -1.349100      0.7141000    
 C    5.218000     -0.1799000      -2.038300    
 C    5.175900       2.604600       1.401400    
 C   0.1877000     -0.6831000      0.5495000    
 C    1.201100      -2.776500     -0.1045000    
 C   -1.140400      -2.700200      0.4860000    
 C  -2.2200000E-02  -3.423400      7.1199998E-02
 H   -5.521000       2.661100       1.323200    
 H   -6.741400       2.448700      5.6499999E-02
 H   -6.492000       1.187900       1.276200    
 H   -3.531500       1.902200      -1.826400    
 H   -3.650000       3.017700     -0.4634000    
 H   -4.952800       2.922100      -1.656300    
 H   -6.038500     -0.5852000     -0.5772000    
 H   -6.421500      0.7019000      -1.729300    
 H   -4.922700     -0.2033000      -1.890600    
 H   -4.051600      0.6270000       1.595500    
 H    5.010800      -1.004800     -4.2700000E-02
 H    6.151300      0.2931000     -0.1743000    
 H    3.837000       3.004900     -0.2143000    
 H    5.443700       2.502400     -0.7428000    
 H    3.253700      -1.372800     -0.3932000    
 H    5.982100     -0.9083000      -2.327300    
 H    5.460100      0.7734000      -2.519400    
 H    4.257200     -0.5182000      -2.439200    
 H    5.518400       3.641200       1.478100    
 H    6.014100       1.949100       1.658900    
 H    4.390800       2.448600       2.148800    
 H   0.1809000      0.3757000      0.7589000    
 H    2.063900      -3.353300     -0.4281000    
 H   -2.092300      -3.203400      0.6233000    
 H  -0.1041000      -4.490300     -0.1149000    


%chk=000099434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099434

0 1
O -1.944886 0.165175 -0.329143
O -3.852963 -1.201996 -0.798052
O 2.474925 1.660739 0.212847
N -3.998320 1.038591 -0.082565
N 4.654618 0.820508 0.197996
N 2.848830 -0.571712 -0.449685
C -5.485196 1.198119 -0.054528
C -5.752347 2.653097 0.399361
C -6.066967 0.962110 -1.472898
C -6.102496 0.197665 0.957718
C -3.342512 -0.111181 -0.440511
C 5.627530 -0.286544 0.099326
C 5.163067 2.154122 0.597078
C 3.273275 0.693077 0.000206
C 1.515390 -1.022927 -0.647425
C -0.907802 -0.765684 -0.619505
C 6.162772 -0.525623 -1.333780
C 5.261959 2.326387 2.127731
C 0.376108 -0.220480 -0.401791
C 1.345615 -2.358366 -1.112573
C -1.102896 -2.088519 -1.080068
C 0.051438 -2.868616 -1.321526
H -5.312158 3.379447 -0.309477
H -6.839051 2.838292 0.443400
H -5.335077 2.840757 1.406625
H -5.836519 -0.059657 -1.817198
H -5.641092 1.682841 -2.194133
H -7.164507 1.089661 -1.455999
H -5.701785 0.372943 1.972441
H -7.200205 0.321010 0.988291
H -5.873905 -0.839642 0.661869
H -3.410413 1.831541 0.180644
H 5.189550 -1.216078 0.515090
H 6.475594 -0.040655 0.764518
H 4.471759 2.908452 0.186798
H 6.153030 2.299091 0.122630
H 3.565558 -1.254753 -0.694921
H 6.913872 -1.337052 -1.337640
H 6.642942 0.389341 -1.723236
H 5.355598 -0.799274 -2.037624
H 5.676570 3.320858 2.376562
H 5.917052 1.560478 2.583377
H 4.259528 2.244819 2.580793
H 0.491024 0.807310 -0.056263
H 2.222829 -2.989350 -1.305631
H -2.105320 -2.484035 -1.239941
H -0.069418 -3.897087 -1.679188


