%chk=000046710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046710

2 1
 O   -4.284900      -1.953200     -0.1559000    
 O   -5.044500      0.6472000     -0.7649000    
 N    5.505500     -0.4833000     -0.5997000    
 N    1.018500      0.6290000       1.033300    
 C    4.701900     -0.2493000      0.6231000    
 C    3.252500      4.5800000E-02  0.2628000    
 C    6.966400     -0.7957000     -0.2432000    
 C    4.948400      -1.668100      -1.402300    
 C    5.492700      0.7544000      -1.508600    
 C    2.379900      0.3455000       1.478400    
 C   0.1517000     -0.3863000      0.9264000    
 C   0.6857000       1.893200      0.7477000    
 C   -1.158600     -0.1541000      0.5035000    
 C   -1.541300       1.169200      0.1946000    
 C  -0.5993000       2.197700      0.3219000    
 C   -2.092900      -1.194500      0.3804000    
 C   -2.855800       1.419500     -0.2316000    
 C   -3.394400     -0.9281000     -4.5000002E-02
 C   -3.775200      0.3760000     -0.3502000    
 C   -5.064400      -2.262300      0.9978000    
 C   -5.292000      0.5976000      -2.168500    
 H    5.147100      0.5918000       1.168300    
 H    4.770500      -1.142700       1.255500    
 H    3.175500      0.9081000     -0.4060000    
 H    2.797500     -0.8017000     -0.2597000    
 H    6.978600      -1.693500      0.3817000    
 H    7.527400     -0.9629000      -1.167400    
 H    7.372500      5.9999999E-02  0.3038000    
 H    4.827000      -2.517800     -0.7242000    
 H    4.000100      -1.389400      -1.867800    
 H    5.668800      -1.913600      -2.189100    
 H    6.243200      0.6076000      -2.292100    
 H    4.512600      0.8627000      -1.978800    
 H    5.746300       1.630100     -0.9042000    
 H    2.753700       1.211700       2.036700    
 H    2.354200     -0.5023000       2.172900    
 H   0.5199000      -1.375100       1.177200    
 H    1.451300       2.651900      0.8579000    
 H  -0.8567000       3.227900      9.2200004E-02
 H   -1.806900      -2.217900      0.6157000    
 H   -3.168400       2.433900     -0.4726000    
 H   -5.674600      -1.402800       1.292500    
 H   -4.417800      -2.566600       1.827000    
 H   -5.729100      -3.094100      0.7493000    
 H   -5.086200     -0.4032000      -2.561200    
 H   -4.681100       1.339800      -2.692000    
 H   -6.346800      0.8298000      -2.338800    


%chk=000046710-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046710

2 1
O -4.541674 -1.895101 0.051646
O -5.140914 0.887281 -0.835499
N 5.890853 -0.415185 -0.605557
N 1.033512 0.462446 0.849181
C 4.800548 -0.340741 0.493859
C 3.379039 0.012715 0.008571
C 7.207312 -0.823607 0.073768
C 5.539448 -1.464293 -1.663482
C 6.090150 0.944803 -1.278681
C 2.432225 0.112818 1.239700
C 0.069283 -0.509871 0.770461
C 0.721328 1.798492 0.567836
C -1.259342 -0.206247 0.407184
C -1.607176 1.180261 0.105330
C -0.562913 2.161489 0.202647
C -2.279188 -1.209251 0.373946
C -2.927790 1.491151 -0.287634
C -3.591492 -0.882841 0.029624
C -3.910132 0.483646 -0.392165
C -5.695431 -1.731894 0.994463
C -5.957226 0.060902 -1.785631
H 5.161963 0.408936 1.220917
H 4.807709 -1.328284 0.989472
H 3.369754 0.979272 -0.527003
H 2.987726 -0.758894 -0.678255
H 7.085625 -1.816787 0.532165
H 8.004230 -0.860026 -0.684130
H 7.463045 -0.080784 0.844698
H 5.349404 -2.428768 -1.167927
H 4.652265 -1.142962 -2.227553
H 6.390481 -1.566552 -2.353791
H 6.923553 0.865611 -1.993137
H 5.177092 1.231392 -1.819281
H 6.333348 1.696151 -0.511742
H 2.789539 0.885277 1.944159
H 2.402426 -0.845591 1.786349
H 0.374144 -1.530447 1.017737
H 1.531081 2.521462 0.681458
H -0.775898 3.214839 0.001385
H -2.067653 -2.245162 0.658159
H -3.211183 2.510944 -0.565157
H -6.195803 -0.757805 0.858429
H -5.327235 -1.833350 2.029373
H -6.377394 -2.556805 0.749161
H -5.779254 -1.016023 -1.649230
H -5.679205 0.380420 -2.802960
H -7.001681 0.328862 -1.576064


