%chk=000041228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041228

0 1
 O   -1.990800      -1.320300     -0.1783000    
 O    2.966000     -0.3783000      -1.795200    
 O   -4.252400     -0.9380000      0.1198000    
 N   -2.725000      0.8184000      0.2331000    
 C    2.756300      9.0800002E-02 -0.4558000    
 C    1.299400      0.3516000     -0.2617000    
 C    3.356500     -0.9489000      0.5132000    
 C   0.3916000     -0.7103000     -0.3327000    
 C  -0.9415000     -0.4148000     -0.1469000    
 C   -1.363000      0.8741000      9.8999999E-02
 C   0.8574000       1.666800     -9.6000005E-03
 C  -0.4992000       1.943000      0.1757000    
 C    3.253800     -0.5314000       1.972600    
 C   -3.109000     -0.5025000      6.6699997E-02
 H    3.323800       1.024800     -0.3619000    
 H    2.887400      -1.930500      0.3750000    
 H    4.414300      -1.097000      0.2599000    
 H   0.7088000      -1.727300     -0.5334000    
 H    1.570900       2.485700      4.4199999E-02
 H  -0.8456000       2.950900      0.3699000    
 H    3.723800      0.4437000       2.135200    
 H    3.764000      -1.262200       2.608400    
 H    2.212600     -0.4733000       2.303800    
 H   -3.331400       1.607100      0.4204000    
 H    3.924100     -0.4887000      -1.920100    


%chk=000041228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041228

0 1
O -2.139372 -1.199681 -0.629393
O 2.869396 -0.756682 -1.808211
O -4.467103 -0.864194 -0.265611
N -2.807665 0.768234 0.303845
C 2.778723 -0.028918 -0.524790
C 1.304361 0.275475 -0.303744
C 3.401422 -0.881914 0.615432
C 0.333701 -0.706692 -0.642961
C -0.998313 -0.396286 -0.376495
C -1.402361 0.833315 0.204689
C 0.904783 1.510735 0.268685
C -0.454588 1.813100 0.536776
C 3.441153 -0.165070 1.980931
C -3.303892 -0.447609 -0.188922
H 3.341397 0.928237 -0.593339
H 2.831025 -1.827386 0.693271
H 4.437475 -1.151433 0.317773
H 0.631631 -1.641217 -1.123217
H 1.668351 2.260989 0.503715
H -0.742348 2.774009 0.973658
H 4.023229 0.774613 1.924801
H 3.913715 -0.806975 2.745456
H 2.424131 0.086632 2.329251
H -3.427853 1.485137 0.673046
H 3.791800 -1.103019 -1.913346


