%chk=000013961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013961

0 1
 I   -1.007100       2.170900      -1.226200    
 I    1.702500      -3.027400      0.3995000    
 I   -4.256400      -2.810500      0.2546000    
 O    1.258800      2.9800000E-02 -0.5401000    
 O    1.674700       2.923400       1.408500    
 O    2.167300       2.650400     -0.7882000    
 O   -4.047400       1.197000       1.427400    
 N   -3.554900      0.2443000     -0.6705000    
 C    3.146400      1.6700000E-02  0.9656000    
 C    4.224100     -3.6699999E-02 -0.1269000    
 C    1.815700      0.6795000      0.5908000    
 C    5.460300     -0.8503000      0.2504000    
 C    6.483400     -0.8588000     -0.8760000    
 C    1.923700       2.166400      0.3097000    
 C   3.6499999E-02 -0.5702000     -0.3725000    
 C   -1.132700      0.1475000     -0.6083000    
 C   -2.371500     -0.4703000     -0.4375000    
 C  -2.3000000E-02  -1.900600      3.2600001E-02
 C   -2.436200      -1.803300     -3.1599998E-02
 C   -1.262000      -2.518400      0.2034000    
 C   -4.292900       1.003500      0.2410000    
 C   -5.509300       1.617100     -0.4057000    
 H    3.575800      0.6225000       1.778300    
 H    3.015500     -0.9500000       1.437000    
 H    4.527900      0.9866000     -0.3797000    
 H    3.790700     -0.4668000      -1.037900    
 H    1.139500      0.5754000       1.452600    
 H    5.918500     -0.4291000       1.152500    
 H    5.173100      -1.881600      0.4840000    
 H    6.815500      0.1572000      -1.112200    
 H    7.361300      -1.444300     -0.5854000    
 H    6.063600      -1.303700      -1.783900    
 H   -1.311000      -3.558100      0.5204000    
 H   -3.966900      8.7600000E-02  -1.587800    
 H    1.727300       3.882900       1.211200    
 H   -5.219800       2.165200      -1.306900    
 H   -5.987400       2.312100      0.2901000    
 H   -6.220200      0.8292000     -0.6697000    


%chk=000013961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013961

0 1
I -1.324832 2.218466 -1.226925
I 1.833392 -3.067685 -1.137697
I -4.203409 -3.154347 -0.309351
O 1.236397 0.104478 -1.051604
O 2.434472 3.259843 0.360075
O 2.483163 2.488116 -1.835838
O -3.119352 1.165889 1.590534
N -3.689903 0.088251 -0.405407
C 2.808861 0.329635 0.865762
C 4.099595 0.029274 0.075289
C 1.700672 1.017387 0.031162
C 5.114758 -0.789199 0.903360
C 6.426913 -1.058568 0.135827
C 2.224250 2.290698 -0.636987
C 0.017916 -0.554910 -0.868960
C -1.235311 0.122739 -0.793063
C -2.451685 -0.589783 -0.583301
C 0.008733 -1.977748 -0.889939
C -2.403653 -2.010618 -0.591668
C -1.193515 -2.704669 -0.778614
C -3.971081 0.920813 0.695709
C -5.370515 1.522488 0.682340
H 3.030459 0.991044 1.726220
H 2.384730 -0.608038 1.274223
H 4.574489 0.979519 -0.244047
H 3.839528 -0.521625 -0.848476
H 0.852766 1.288043 0.687313
H 5.340857 -0.251893 1.847532
H 4.650702 -1.753484 1.195777
H 6.926716 -0.111011 -0.140410
H 7.136501 -1.651073 0.741971
H 6.230829 -1.616364 -0.799290
H -1.178763 -3.796011 -0.804137
H -4.469042 -0.183512 -1.010102
H 2.803425 4.084738 -0.057264
H -5.327952 2.525412 0.218363
H -5.715044 1.645573 1.720541
H -6.102669 0.913234 0.123677


