%chk=000068753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068753

0 1
 O  -0.9391000       1.542300       1.143500    
 O    1.085500       4.078000     -0.4227000    
 N   -2.666500       1.453400     -0.4026000    
 N    1.024700       1.765800     -0.6436000    
 N    1.648700      0.5573000     -0.5195000    
 C   -3.738900       1.311200      0.5744000    
 C   -3.556000      4.1700002E-02   1.420800    
 C   -3.791800       2.549500       1.463700    
 C   -3.493600      -1.217500      0.5894000    
 C   -1.322000       1.559900     -2.9400000E-02
 C   -3.095100       1.476600      -1.798900    
 C  -0.3284000       1.699700      -1.169200    
 C   -4.664800      -1.899600      0.3015000    
 C   -2.266200      -1.667600      0.1304000    
 C   -4.607200      -3.062900     -0.4660000    
 C   -2.208400      -2.830900     -0.6373000    
 C    1.617700       2.974100     -0.3101000    
 C    2.860600      0.5375000     -6.3400000E-02
 C   -3.379000      -3.528500     -0.9354000    
 C    2.993000       2.905000      0.2269000    
 C    3.613800       1.734900      0.3570000    
 C    3.553500     -0.7712000      7.1900003E-02
 C    4.940500     -0.8378000     -4.2599998E-02
 C    2.813400      -1.926900      0.3126000    
 C    5.590400      -2.065600      8.4100001E-02
 C    3.463300      -3.154600      0.4394000    
 C    4.851800      -3.223900      0.3251000    
 H   -4.692500       1.241000      3.4499999E-02
 H   -4.394100     -4.1800000E-02   2.126600    
 H   -2.665800      9.4899997E-02   2.058900    
 H   -4.672900       2.511800       2.113800    
 H   -3.863000       3.460800      0.8595000    
 H   -2.916200       2.648200       2.112000    
 H   -3.798000       2.306000      -1.927800    
 H   -3.608400      0.5362000      -2.021900    
 H   -2.291500       1.603600      -2.522000    
 H  -0.3962000      0.8389000      -1.842900    
 H  -0.5370000       2.625300      -1.715500    
 H   -5.626200      -1.543500      0.6603000    
 H   -1.341900      -1.153400      0.3716000    
 H   -5.518600      -3.605900     -0.6985000    
 H   -1.251400      -3.196300     -0.9980000    
 H   -3.333900      -4.434800      -1.532000    
 H    3.471300       3.830900      0.5252000    
 H    4.603900       1.683300      0.7882000    
 H    5.550300      3.2400001E-02 -0.2654000    
 H    1.731700      -1.896400      0.4124000    
 H    6.670800      -2.121400     -1.3000000E-02
 H    2.888400      -4.056500      0.6283000    
 H    5.357600      -4.180100      0.4222000    


%chk=000068753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068753

0 1
O -0.869761 1.727115 1.129274
O 1.103124 4.249322 -1.029832
N -2.697683 1.572998 -0.311642
N 0.981486 1.902291 -0.875505
N 1.474591 0.656155 -0.590881
C -3.645483 1.234736 0.801620
C -3.248914 -0.083885 1.542654
C -3.816030 2.416367 1.781832
C -3.083802 -1.269627 0.605183
C -1.352244 1.743537 -0.045810
C -3.272353 1.584532 -1.671128
C -0.427051 1.926762 -1.280303
C -4.193926 -2.077086 0.243020
C -1.816405 -1.573370 0.040686
C -4.046219 -3.154040 -0.660978
C -1.664077 -2.647347 -0.865583
C 1.675052 3.154011 -0.736094
C 2.747621 0.562882 -0.152969
C -2.779494 -3.441563 -1.221353
C 3.042324 2.994119 -0.253989
C 3.558632 1.747117 0.029906
C 3.255686 -0.804623 0.136626
C 4.648830 -1.087371 0.122022
C 2.349932 -1.860925 0.429297
C 5.121878 -2.389272 0.394421
C 2.823424 -3.159905 0.700437
C 4.212667 -3.431621 0.685799
H -4.614819 1.048844 0.298707
H -4.052611 -0.283141 2.277478
H -2.318159 0.107201 2.102478
H -4.582487 2.171784 2.540290
H -4.138495 3.327094 1.245906
H -2.864031 2.628883 2.293807
H -4.224186 2.145991 -1.664283
H -3.474129 0.556074 -2.029201
H -2.603915 2.084873 -2.386948
H -0.591869 1.114824 -2.008031
H -0.603620 2.908389 -1.754335
H -5.178474 -1.867443 0.681308
H -0.947388 -0.964460 0.317712
H -4.913600 -3.771250 -0.922624
H -0.676746 -2.864200 -1.290300
H -2.662525 -4.277851 -1.919918
H 3.617939 3.912549 -0.111616
H 4.574266 1.648164 0.424205
H 5.370681 -0.301531 -0.127164
H 1.278653 -1.643173 0.455230
H 6.198681 -2.590303 0.373120
H 2.110579 -3.958615 0.933627
H 4.580750 -4.440911 0.900339


