%chk=000002422.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002422

0 1
 O    2.435800       7.005900      5.4800000E-02
 N    2.608600      -2.576800      9.8999999E-03
 N   0.4039000      -2.906400     -3.5000001E-03
 N    2.667300     -0.1485000     -7.0000002E-03
 N   -1.548400     -0.5752000     -3.1700000E-02
 N   0.4155000      0.7922000     -2.8999999E-02
 N    2.313900       2.164500     -2.3800001E-02
 C    4.018700      -2.882800      2.0800000E-02
 C    2.040800      -1.334700     -2.7999999E-03
 C   0.6737000      -1.560900     -1.0500000E-02
 C    4.450300      -3.638000      -1.237800    
 C    4.433800      -3.623900       1.293100    
 C    1.585400      -3.487400      8.3999997E-03
 C  -0.1493000     -0.4393000     -2.3800001E-02
 C    1.782600      0.8931000     -2.0500001E-02
 C    1.496800       3.371700     -3.7700001E-02
 C   -2.442200      0.5446000     -4.5499999E-02
 C    2.384000       4.611900     -2.0000001E-03
 C   -3.871400      7.8699999E-02 -1.4700000E-02
 C    1.556900       5.890400      6.5000001E-03
 C   -4.540100     -0.1616000      -1.208200    
 C   -4.506100     -0.1055000       1.206900    
 C   -5.866200     -0.5933000      -1.179600    
 C   -5.832200     -0.5374000       1.235500    
 C   -6.512100     -0.7813000      4.2199999E-02
 H    4.552900      -1.924200      1.8999999E-02
 H    1.755500      -4.555500      1.6300000E-02
 H    4.164800      -3.087700      -2.141100    
 H    5.537000      -3.772700      -1.253900    
 H    3.988600      -4.630000      -1.292200    
 H    3.971400      -4.615300       1.352400    
 H    5.520300      -3.758200       1.324900    
 H    4.136700      -3.063600       2.186600    
 H   -1.919000      -1.519600     -3.0900000E-02
 H   0.8777000       3.387700     -0.9425000    
 H   0.8294000       3.374900      0.8324000    
 H   -2.275400       1.157900     -0.9402000    
 H   -2.253500       1.198500      0.8158000    
 H    3.323900       2.247200     -2.0000000E-02
 H    3.064200       4.619600     -0.8634000    
 H    3.033500       4.590300      0.8826000    
 H   0.9463000       5.966500     -0.8989000    
 H   0.9017000       5.926100      0.8827000    
 H   -4.045800     -2.0199999E-02  -2.165200    
 H   -3.985400      7.9700001E-02   2.142200    
 H   -6.395500     -0.7838000      -2.108600    
 H   -6.335100     -0.6842000       2.186800    
 H   -7.544500      -1.117800      6.4499997E-02
 H    1.882000       7.805200      5.9000000E-02


%chk=000002422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002422

0 1
O 2.151342 6.887638 -0.251915
N 2.662650 -2.691043 0.007635
N 0.530060 -3.107785 -0.747389
N 2.522039 -0.229440 0.276167
N -1.458765 -0.783782 -1.101555
N 0.288024 0.636712 -0.340610
N 2.025808 2.049041 0.392785
C 4.071692 -2.904113 0.423189
C 2.016964 -1.449818 -0.046542
C 0.705170 -1.730158 -0.513469
C 4.928090 -3.377753 -0.772812
C 4.150937 -3.869666 1.625917
C 1.721343 -3.645913 -0.425889
C -0.169421 -0.611911 -0.657297
C 1.589373 0.772819 0.099280
C 1.193729 3.253185 0.328859
C -2.414430 0.311172 -1.297947
C 2.056096 4.498585 0.038186
C -3.715369 0.124564 -0.520810
C 1.215351 5.777488 -0.006935
C -4.958324 0.446666 -1.119284
C -3.699859 -0.341842 0.818481
C -6.164537 0.316199 -0.393076
C -4.903228 -0.476803 1.544770
C -6.140613 -0.146439 0.942337
H 4.418304 -1.902252 0.739000
H 1.953854 -4.706441 -0.484488
H 4.861406 -2.661603 -1.609811
H 5.987277 -3.463073 -0.470450
H 4.596022 -4.368120 -1.135053
H 3.806470 -4.883771 1.351857
H 5.195669 -3.950996 1.975361
H 3.530666 -3.506321 2.463380
H -1.740946 -1.743648 -1.311710
H 0.439379 3.096518 -0.461918
H 0.632834 3.395610 1.279442
H -2.642768 0.434587 -2.376121
H -1.889469 1.226491 -0.966623
H 2.978246 2.111458 0.754259
H 2.580777 4.375614 -0.926936
H 2.830419 4.622935 0.821469
H 0.459394 5.708707 -0.819528
H 0.679866 5.917841 0.957852
H -4.983531 0.798588 -2.158724
H -2.741884 -0.601714 1.283321
H -7.118954 0.567343 -0.869755
H -4.878117 -0.838812 2.578997
H -7.074423 -0.253323 1.505701
H 1.647086 7.737580 -0.313302


