%chk=000005769.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005769

0 1
 O   0.7096000       1.692500      -2.326700    
 O   -2.919600      -2.812800     -0.6778000    
 N    3.039200      0.6959000     -0.9901000    
 N   -2.882700       2.469700      0.9524000    
 C    2.993800     -0.3925000       1.372000    
 C    1.811400       1.113800     -0.2616000    
 C    1.685300      0.3707000       1.087100    
 C    3.202200      -1.463900      0.2771000    
 C    4.150800      0.6161000       1.245000    
 C    3.093500     -0.7822000      -1.107100    
 C    4.213100       1.139600     -0.2002000    
 C   0.5485000      0.9651000      -1.112900    
 C    2.254300      -2.618200      0.4062000    
 C  -0.6779000       1.461200     -0.3891000    
 C    2.638200      -3.882300      0.6133000    
 C   -1.771200      0.6312000     -0.1393000    
 C  -0.6765000       2.780600      2.2500001E-02
 C   -2.872000       1.185800      0.5467000    
 C   -1.793700     -0.7131000     -0.5480000    
 C   -1.798700       3.233700      0.6861000    
 C   -3.967000      0.3643000      0.8005000    
 C   -2.901900      -1.512000     -0.2808000    
 C   -3.989700     -0.9722000      0.3941000    
 C   -4.088800      -3.570800     -0.3692000    
 H    2.975600     -0.8346000       2.374300    
 H    1.948800       2.183500     -5.2000001E-02
 H   0.8413000     -0.3251000       1.107400    
 H    1.509500       1.100200       1.888000    
 H    4.229100      -1.844300      0.3813000    
 H    5.102200      0.1406000       1.510400    
 H    3.998400       1.449500       1.941400    
 H    3.973400      -1.052500      -1.706800    
 H    2.245700      -1.157600      -1.690700    
 H    4.272400       2.235100     -0.1989000    
 H    5.136700      0.7991000     -0.6856000    
 H   0.4591000     -6.8700001E-02  -1.427600    
 H    1.189800      -2.423800      0.3056000    
 H    1.530700       1.385100      -2.747500    
 H    1.901400      -4.674700      0.6873000    
 H    3.684200      -4.150200      0.7128000    
 H   0.1449000       3.460600     -0.1696000    
 H  -0.9822000      -1.200000      -1.074200    
 H   -1.864000       4.260200       1.031400    
 H   -4.831300      0.7643000       1.328000    
 H   -4.887100      -1.530300      0.6382000    
 H   -4.234500      -3.662700      0.7124000    
 H   -3.930400      -4.582100     -0.7580000    
 H   -4.973600      -3.168500     -0.8741000    


%chk=000005769-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005769

0 1
O 1.143220 1.942917 -2.213675
O -2.844453 -2.768227 -0.044254
N 3.020024 0.805515 -0.722216
N -3.107746 2.842619 0.394306
C 2.861323 -0.779992 1.322247
C 1.669516 0.956489 -0.059018
C 1.470794 -0.149633 1.020861
C 3.363300 -1.588747 0.078299
C 3.889084 0.354727 1.598352
C 3.243495 -0.610999 -1.157080
C 4.072559 1.185142 0.275753
C 0.593236 1.051022 -1.192411
C 2.614501 -2.881421 -0.150283
C -0.721226 1.619146 -0.675433
C 3.177111 -4.115663 -0.177392
C -1.826422 0.788209 -0.250684
C -0.868143 3.006999 -0.582624
C -2.998676 1.461060 0.289707
C -1.842698 -0.637131 -0.340053
C -2.065334 3.573079 -0.046837
C -4.108265 0.677277 0.733552
C -2.950074 -1.374639 0.099220
C -4.097067 -0.715467 0.650040
C -3.976699 -3.591536 0.388370
H 2.789689 -1.451554 2.196060
H 1.693187 1.954429 0.420614
H 0.760069 -0.926385 0.687009
H 1.042518 0.287885 1.940486
H 4.430691 -1.835203 0.248158
H 4.853137 -0.075571 1.928048
H 3.519704 0.999762 2.418248
H 4.160975 -0.643910 -1.770221
H 2.407028 -0.909267 -1.813737
H 3.997149 2.270152 0.466688
H 5.057612 0.994382 -0.186925
H 0.428345 0.043603 -1.630594
H 1.528745 -2.793378 -0.319245
H 2.142264 1.816017 -2.109826
H 2.579852 -5.016598 -0.356747
H 4.253828 -4.260641 -0.020283
H -0.065874 3.651900 -0.951898
H -1.006768 -1.191337 -0.776159
H -2.173074 4.662012 0.025461
H -4.970012 1.217575 1.137148
H -4.962739 -1.288128 0.995510
H -4.170316 -3.475949 1.472478
H -3.672563 -4.627095 0.176580
H -4.894507 -3.350145 -0.181898


