%chk=000021910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021910

0 1
 O    6.968600      0.6395000      0.3167000    
 O   -6.968600      0.6395000     -0.3167000    
 N    3.608800     -0.3816000     -0.1416000    
 N   -3.608800     -0.3816000      0.1417000    
 C   0.6837000     -0.3973000     -0.3387000    
 C  -0.6838000     -0.3973000      0.3387000    
 C    1.488800      -1.643300      4.5699999E-02
 C    1.477200      0.8632000      2.1700000E-02
 C   -1.477200      0.8633000     -2.1700000E-02
 C   -1.488800      -1.643200     -4.5699999E-02
 C    2.898000      -1.600800     -0.5493000    
 C    2.886400      0.8227000     -0.5730000    
 C   -2.886400      0.8226000      0.5730000    
 C   -2.898000      -1.600800      0.5492000    
 C    4.970600     -0.3804000     -0.6757000    
 C   -4.970600     -0.3804000      0.6756000    
 C    5.700800      0.8678000     -0.2992000    
 C   -5.700700      0.8678000      0.2992000    
 C    5.939800       1.210100       1.135600    
 C   -5.939800       1.210100      -1.135600    
 H   0.5428000     -0.4075000      -1.429000    
 H  -0.5429000     -0.4075000       1.429100    
 H    1.555200      -1.731000       1.137900    
 H    1.008400      -2.554600     -0.3248000    
 H   0.9894000       1.762200     -0.3693000    
 H    1.541700      0.9738000       1.112100    
 H  -0.9896000       1.762200      0.3693000    
 H   -1.541800      0.9739000      -1.112000    
 H   -1.555200      -1.730900      -1.137900    
 H   -1.008400      -2.554500      0.3248000    
 H    3.444000      -2.484000     -0.1957000    
 H    2.837500      -1.671900      -1.643500    
 H    3.385700       1.736900     -0.2341000    
 H    2.825500      0.8708000      -1.668500    
 H   -3.385700       1.736900      0.2341000    
 H   -2.825500      0.8707000       1.668600    
 H   -2.837500      -1.672100       1.643400    
 H   -3.443900      -2.484000      0.1955000    
 H    5.510100      -1.253300     -0.2862000    
 H    4.969200     -0.4713000      -1.769600    
 H   -5.510100      -1.253300      0.2860000    
 H   -4.969400     -0.4714000       1.769500    
 H    5.631100       1.663000      -1.028900    
 H   -5.631200       1.663000       1.029000    
 H    5.515800      0.5836000       1.909400    
 H    6.035400       2.255000       1.401300    
 H   -6.035400       2.255000      -1.401300    
 H   -5.515700      0.5837000      -1.909400    


%chk=000021910-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021910

0 1
O 7.424211 0.461215 0.005748
O -7.424215 0.461110 -0.006013
N 3.683883 -0.255529 -0.185417
N -3.683936 -0.255593 0.185414
C 0.701982 -0.265288 -0.339846
C -0.702038 -0.265303 0.339868
C 1.537867 -1.517508 0.034453
C 1.529990 0.997604 0.013330
C -1.530065 0.997579 -0.013303
C -1.537899 -1.517535 -0.034444
C 2.945695 -1.478944 -0.589393
C 2.942144 0.960074 -0.603692
C -2.942224 0.960020 0.603705
C -2.945734 -1.478999 0.589390
C 5.077907 -0.281208 -0.695632
C -5.077968 -0.281296 0.695604
C 5.951367 0.807111 -0.091830
C -5.951408 0.807074 0.091861
C 6.580486 0.620841 1.251015
C -6.580298 0.620988 -1.251118
H 0.543592 -0.274716 -1.442866
H -0.543650 -0.274737 1.442887
H 1.635721 -1.571510 1.137411
H 1.033051 -2.441784 -0.303254
H 1.021110 1.912565 -0.343182
H 1.623327 1.072986 1.115526
H -1.021203 1.912545 0.343222
H -1.623394 1.072969 -1.115499
H -1.635741 -1.571535 -1.137403
H -1.033070 -2.441804 0.303264
H 3.527951 -2.360445 -0.260573
H 2.851732 -1.541186 -1.707509
H 3.505187 1.853553 -0.278778
H 2.856570 1.008801 -1.723693
H -3.505283 1.853489 0.278790
H -2.856662 1.008743 1.723708
H -2.851781 -1.541247 1.707506
H -3.527974 -2.360507 0.260558
H 5.526632 -1.255195 -0.425397
H 5.116285 -0.200399 -1.813493
H -5.526698 -1.255260 0.425291
H -5.116363 -0.200565 1.813470
H 5.787869 1.834647 -0.442797
H -5.788026 1.834560 0.443029
H 6.385252 -0.309570 1.798427
H 6.826720 1.495788 1.864786
H -6.826484 1.496021 -1.864785
H -6.384916 -0.309323 -1.798646


