%chk=000022648.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022648

0 1
 O    3.913800      -1.523100     -0.6349000    
 O   -2.582300       1.477500      -1.247300    
 N    1.230800     -0.7084000     -0.8774000    
 N  -0.7852000     -8.1799999E-02  0.2394000    
 N  -0.7072000      -1.705800      -1.519300    
 C    2.199600      0.1143000     -0.2639000    
 C    3.524700     -0.3085000     -0.1540000    
 C   -2.169600     -0.2415000      0.3725000    
 C    1.822700       1.361500      0.2350000    
 C  -0.1369000     -0.7903000     -0.6523000    
 C   -3.050100      0.5419000     -0.3739000    
 C    4.471900      0.5153000      0.4544000    
 C    2.770000       2.185200      0.8435000    
 C    4.094400       1.762000      0.9531000    
 C   -2.666600      -1.193400       1.262900    
 C   -4.427300      0.3730000     -0.2301000    
 C   -4.043800      -1.362000       1.406700    
 C   -4.924100     -0.5788000      0.6604000    
 C    3.836300      -2.629400      0.2614000    
 C   -2.371200       2.792100     -0.7364000    
 H    1.638300      -1.428600      -1.468300    
 H   0.8146000       1.748700      0.1336000    
 H    5.505900      0.1931000      0.5422000    
 H    2.478700       3.160200       1.223100    
 H    4.832400       2.404500       1.424500    
 H   -1.989100      -1.808300       1.849800    
 H   -5.119200      0.9791000     -0.8087000    
 H   -4.430700      -2.103100       2.100000    
 H   -5.996300     -0.7102000      0.7723000    
 H   -1.701300      -1.904800      -1.517600    
 H  -0.1429000      -2.211600      -2.193400    
 H    2.808400      -2.778400      0.6067000    
 H    4.501000      -2.475400       1.117500    
 H    4.158200      -3.526900     -0.2738000    
 H   -1.664500       2.776200      9.9200003E-02
 H   -3.320200       3.233500     -0.4164000    
 H   -1.951500       3.407300      -1.537000    


%chk=000022648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022648

0 1
O 3.604152 -1.203178 -0.967308
O -3.007904 0.124337 -1.935359
N 1.087635 -0.663921 -0.519539
N -0.989598 0.111397 0.299606
N -0.852150 -1.501144 -1.506554
C 1.988561 -0.144045 0.436077
C 3.371440 -0.437419 0.201472
C -2.387740 0.123691 0.476576
C 1.642881 0.630096 1.569105
C -0.313119 -0.648184 -0.543514
C -3.384616 0.161786 -0.552839
C 4.373134 0.015804 1.078759
C 2.651548 1.078331 2.454050
C 4.008727 0.777415 2.217223
C -2.867325 0.172250 1.821356
C -4.762110 0.203638 -0.258241
C -4.242005 0.210293 2.122463
C -5.203506 0.218736 1.082080
C 4.988669 -1.540058 -1.292368
C -2.460881 1.405749 -2.436446
H 1.556984 -1.124817 -1.303705
H 0.588830 0.869072 1.718789
H 5.426398 -0.214543 0.891805
H 2.366983 1.674259 3.328039
H 4.786136 1.131879 2.902290
H -2.116980 0.162725 2.618807
H -5.469502 0.217209 -1.094567
H -4.565599 0.231104 3.169262
H -6.274230 0.244970 1.310147
H -1.784032 -1.267363 -1.874774
H -0.325680 -2.291344 -1.873042
H 5.447275 -2.153710 -0.493199
H 5.593860 -0.627034 -1.452992
H 4.938604 -2.121800 -2.224828
H -1.582349 1.717922 -1.841797
H -3.241101 2.187910 -2.390945
H -2.169690 1.223085 -3.482388


