%chk=000045789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045789

1 1
 O  -7.5099997E-02  -2.331500      0.4071000    
 O    3.657600       1.665100     -0.2919000    
 N   -3.287600      0.4269000      7.9700001E-02
 C   -1.823700      0.7282000      0.3666000    
 C  -0.9518000      0.1311000     -0.7448000    
 C   -3.689600       1.072800      -1.238500    
 C   -3.486800      -1.079200     -1.1800000E-02
 C   -4.150300      0.9856000       1.202000    
 C   -1.666800       2.240800      0.4503000    
 C   0.4770000     -0.1171000     -0.3249000    
 C   0.8378000      -1.336000      0.2286000    
 C    1.408600      0.8944000     -0.5043000    
 C    2.732800      0.6814000     -0.1209000    
 C    2.162100      -1.548800      0.6118000    
 C    3.109500     -0.5402000      0.4371000    
 C  -0.2467000      -3.253600     -0.6672000    
 C    4.993100       1.380000      0.1214000    
 H   -1.590200      0.2731000       1.337900    
 H  -0.9241000      0.8110000      -1.608400    
 H   -1.327600     -0.7983000      -1.167600    
 H   -3.054600      0.7189000      -2.052900    
 H   -4.720700      0.7643000      -1.446000    
 H   -3.676500       2.161400      -1.154900    
 H   -4.558100      -1.288000      7.9400003E-02
 H   -3.163700      -1.453300     -0.9856000    
 H   -2.950600      -1.560900      0.8107000    
 H   -3.731400      0.6700000       2.162000    
 H   -4.216000       2.073500       1.127200    
 H   -5.161700      0.5812000       1.089200    
 H   -1.803800       2.757700     -0.5037000    
 H  -0.6412000       2.474600      0.7613000    
 H   -2.291000       2.716900       1.209100    
 H    1.124200       1.847300     -0.9424000    
 H    2.461500      -2.498100       1.047900    
 H    4.119600     -0.7725000      0.7567000    
 H  -0.2256000      -2.757900      -1.643000    
 H   -1.214600      -3.747200     -0.5445000    
 H   0.5412000      -4.012100     -0.6258000    
 H    5.427500      0.5590000     -0.4592000    
 H    5.051000       1.201600       1.200500    
 H    5.593400       2.271600     -8.7700002E-02


%chk=000045789-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045789

1 1
O -0.379168 -2.047414 0.040084
O 3.793642 1.708018 -0.458198
N -3.398599 0.441813 -0.136418
C -1.864848 0.657520 0.226911
C -0.945576 0.475565 -1.013971
C -3.885327 1.437133 -1.182753
C -3.600450 -0.982534 -0.665985
C -4.245299 0.592066 1.126068
C -1.614877 2.004483 0.922385
C 0.467935 0.121208 -0.569560
C 0.739496 -1.177006 -0.042618
C 1.523572 1.043127 -0.683671
C 2.842701 0.700174 -0.287212
C 2.047345 -1.525229 0.349474
C 3.102417 -0.590460 0.230349
C -0.109351 -3.445607 0.412012
C 5.185742 1.405470 -0.097828
H -1.667576 -0.175930 0.925112
H -0.922963 1.406668 -1.608573
H -1.313083 -0.341040 -1.659002
H -3.258134 1.356939 -2.081550
H -4.929734 1.198377 -1.438161
H -3.829681 2.456832 -0.776270
H -4.674416 -1.221810 -0.632218
H -3.244865 -1.050090 -1.702609
H -3.023278 -1.679008 -0.040291
H -3.877195 -0.111158 1.888869
H -4.175190 1.621421 1.501103
H -5.293742 0.361677 0.880575
H -1.905416 2.869750 0.300424
H -0.526604 2.083679 1.088202
H -2.094098 2.088262 1.910830
H 1.354647 2.041532 -1.101183
H 2.270336 -2.518990 0.747650
H 4.109418 -0.883901 0.538856
H 0.609832 -3.907874 -0.288846
H -1.078179 -3.962280 0.340691
H 0.274892 -3.518604 1.446598
H 5.581171 0.568239 -0.703893
H 5.277203 1.168491 0.979423
H 5.744400 2.324191 -0.324304


