%chk=000040361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040361

0 1
 O   -2.593800      0.9785000      -1.198900    
 O   -2.595300      0.9715000       1.211600    
 N    1.451100      0.6538000     -1.2700000E-02
 C   -2.207400       1.680000      8.7000001E-03
 C  -0.6872000       1.836400      1.0200000E-02
 C   3.8999999E-03  0.4789000     -3.3900000E-02
 C   -2.891400       3.046500      1.2200000E-02
 C   -3.201400     -0.1270000     -0.6853000    
 C   -3.202200     -0.1309000      0.6908000    
 C    2.130200     -0.6342000     -2.0800000E-02
 C   -3.766100      -1.152500      -1.414900    
 C   -3.767600      -1.161000       1.413700    
 C    3.627700     -0.4790000     -7.6000001E-03
 C   -4.346100      -2.207900     -0.7070000    
 C   -4.346900      -2.212100      0.6991000    
 C    4.316800     -0.3964000      -1.209500    
 C    4.298000     -0.4211000       1.206200    
 C    5.704100     -0.2528000      -1.197200    
 C    5.685300     -0.2774000       1.218500    
 C    6.388400     -0.1933000      1.6700000E-02
 H  -0.3721000       2.375400      0.9130000    
 H  -0.3728000       2.425100     -0.8615000    
 H  -0.2755000     -5.7799999E-02 -0.9474000    
 H  -0.2982000     -0.1279000      0.8273000    
 H   -3.981200       2.929200      1.2700000E-02
 H   -2.628200       3.621100      0.9064000    
 H   -2.629500       3.625200     -0.8798000    
 H    1.715800       1.174900      0.8233000    
 H    1.842200      -1.211500     -0.9092000    
 H    1.825800      -1.237200      0.8452000    
 H   -3.763000      -1.145500      -2.498800    
 H   -3.765700      -1.160400       2.497700    
 H   -4.801100      -3.034200      -1.246400    
 H   -4.802600      -3.041600       1.232900    
 H    3.793600     -0.4400000      -2.160600    
 H    3.759900     -0.4838000       2.147900    
 H    6.251600     -0.1868000      -2.132900    
 H    6.218100     -0.2306000       2.163700    
 H    7.468600     -8.1200004E-02  2.6300000E-02


%chk=000040361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040361

0 1
O -2.519443 0.573160 -1.303193
O -2.647051 1.036674 1.055618
N 1.568084 0.543690 0.097930
C -2.126512 1.591709 -0.255183
C -0.601640 1.689438 -0.188331
C 0.105379 0.337211 0.020624
C -2.853947 2.900219 -0.551297
C -3.390926 -0.337098 -0.664119
C -3.466343 -0.064619 0.720761
C 2.359109 -0.705993 0.148340
C -4.090885 -1.396327 -1.248030
C -4.245646 -0.839336 1.584236
C 3.860376 -0.438109 0.119134
C -4.891368 -2.193661 -0.381620
C -4.967028 -1.921223 1.004107
C 4.392177 0.620507 -0.660863
C 4.751154 -1.263958 0.849456
C 5.786334 0.842335 -0.713866
C 6.147286 -1.047917 0.792830
C 6.670034 0.007372 0.010133
H -0.352625 2.383051 0.639434
H -0.232282 2.148588 -1.123438
H -0.103913 -0.316140 -0.846425
H -0.315307 -0.166238 0.923248
H -3.944181 2.733802 -0.561824
H -2.617596 3.650220 0.222861
H -2.544833 3.290366 -1.535877
H 1.824713 1.175291 0.870615
H 2.074008 -1.304084 -0.742499
H 2.119536 -1.343281 1.035884
H -4.023002 -1.599155 -2.320139
H -4.295050 -0.621329 2.654396
H -5.458230 -3.031010 -0.801570
H -5.591842 -2.549771 1.647088
H 3.696285 1.260759 -1.213402
H 4.351099 -2.079605 1.465337
H 6.184682 1.663862 -1.320725
H 6.823541 -1.695981 1.362164
H 7.751655 0.178981 -0.032097


