%chk=000043224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043224

0 1
 O    3.566300       2.011300       0.000000    
 N   -4.610700      0.7232000     -1.3000000E-03
 N   0.6664000      -2.641400     -3.0000001E-04
 C   -1.738600      0.1439000      6.9999998E-04
 C   -2.610700     -2.0000001E-03   1.259700    
 C   -2.608800     -1.0000000E-03  -1.259600    
 C  -0.5510000     -0.7924000      1.3000000E-03
 C   -3.816100      0.9369000       1.208400    
 C   -3.814300      0.9377000      -1.209500    
 C   0.8174000     -0.4156000      6.9999998E-04
 C  -0.6164000      -2.163000      6.0000003E-04
 C    1.562800      -1.596600     -3.0000001E-04
 C    1.499800      0.8171000      7.9999998E-04
 C    2.962200      -1.606400     -1.0000000E-03
 C    2.899500      0.8226000     -1.9999999E-04
 C    3.617300     -0.3717000     -1.0000000E-03
 C    2.775000       3.197500      8.9999998E-04
 H   -1.354600       1.173400      1.5000000E-03
 H   -2.016000      0.2159000       2.155400    
 H   -2.962100      -1.037300       1.362500    
 H   -2.960100      -1.036300      -1.363700    
 H   -2.012700      0.2174000      -2.154300    
 H   -4.450400      0.7635000       2.084600    
 H   -3.488600       1.982300       1.260100    
 H   -3.486800       1.983100      -1.260100    
 H   -4.447200      0.7649000      -2.086900    
 H   -4.960200     -0.2354000     -1.9000000E-03
 H   -1.454900      -2.845500      3.9999999E-04
 H   0.9195000      -3.619800     -1.1000000E-03
 H   0.8965000       1.716100      1.5000000E-03
 H    3.521900      -2.535700     -1.7000000E-03
 H    4.704700     -0.3508000     -1.6000000E-03
 H    2.171500       3.279500      0.9113000    
 H    2.170400       3.280100     -0.9088000    
 H    3.466600       4.046600      7.9999998E-04


%chk=000043224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043224

0 1
O 3.660588 2.032698 0.000280
N -4.692935 0.822398 -0.000728
N 0.713933 -2.713754 -0.000161
C -1.781686 0.100209 0.000245
C -2.669388 -0.060366 1.270116
C -2.668145 -0.058686 -1.270727
C -0.582567 -0.824550 0.000158
C -3.869604 0.923207 1.232773
C -3.868395 0.924835 -1.233292
C 0.817584 -0.433034 0.000097
C -0.599530 -2.223234 -0.000036
C 1.606368 -1.634436 -0.000091
C 1.470326 0.832972 0.000216
C 3.019732 -1.604127 -0.000170
C 2.878980 0.855755 0.000149
C 3.648644 -0.349417 -0.000049
C 2.943374 3.305689 0.000506
H -1.403789 1.145871 0.001126
H -2.059541 0.110916 2.178687
H -3.045144 -1.103230 1.323737
H -3.043833 -1.101484 -1.326043
H -2.057393 0.113762 -2.178469
H -4.528420 0.768919 2.107309
H -3.486714 1.962685 1.293301
H -3.485460 1.964398 -1.292084
H -4.526351 0.771688 -2.108675
H -5.248412 -0.046572 -0.001575
H -1.447154 -2.906540 -0.000072
H 0.976493 -3.696288 -0.000271
H 0.882649 1.755720 0.000368
H 3.617302 -2.522421 -0.000321
H 4.738950 -0.259812 -0.000097
H 2.311303 3.413864 0.904595
H 2.311210 3.414135 -0.903486
H 3.724622 4.080329 0.000582


