%chk=000063516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063516

0 1
 O    3.938600       2.166200      8.2800001E-02
 O   6.7900002E-02  -1.912200       1.333200    
 O   -4.588600     -0.1993000       2.364100    
 O   -4.431700      -1.039100      -2.347900    
 O   -5.871500     -0.3481000     -8.5900001E-02
 N    2.230000      0.6006000     -0.3446000    
 N    2.752900      -1.709200     -0.4183000    
 C    1.894600     -0.7404000     -0.5190000    
 C   0.4845000      -1.140400     -0.9021000    
 C    1.245500       1.612900     -0.3448000    
 C    3.553700       1.015100     -0.1055000    
 C    4.540900     -8.3200000E-02 -2.0199999E-02
 C    4.093400      -1.399100     -0.1575000    
 C   0.5911000       1.959700      0.8308000    
 C  -0.3845000      -1.441900      0.2919000    
 C   -1.844500      -1.151300      0.1915000    
 C   0.9453000       2.253200      -1.541100    
 C    5.892700      0.1916000      0.2179000    
 C    5.020500      -2.442800     -5.3900000E-02
 C  -0.3784000       2.962400      0.8099000    
 C   0.9003000       1.282700       2.126700    
 C   -2.450400      -1.234100      -1.041500    
 C   -2.529900     -0.8113000       1.335800    
 C  -2.4200000E-02   3.255800      -1.561800    
 C    6.804700     -0.8581000      0.3176000    
 C    6.369400      -2.174400      0.1829000    
 C  -0.6861000       3.610300     -0.3865000    
 C   -3.894800     -0.5393000       1.242000    
 C   -3.815300     -0.9622000      -1.135400    
 C   -4.537600     -0.6149000      6.3000000E-03
 C   -4.658200       1.188000       2.687500    
 C   -4.466300      0.1503000      -3.134000    
 C   -6.764000      -1.447500      7.9000004E-02
 H   3.9200000E-02 -0.3587000      -1.520800    
 H   0.5331000      -2.052500      -1.509600    
 H    1.454400       1.984300      -2.462900    
 H    6.252100       1.210600      0.3298000    
 H    4.696200      -3.475200     -0.1613000    
 H  -0.9012000       3.247700       1.719100    
 H    1.541300       1.930400       2.734200    
 H  -2.2399999E-02   1.087700       2.684500    
 H    1.406900      0.3218000       2.018000    
 H   -1.911200      -1.523800      -1.938000    
 H   -2.034200     -0.7461000       2.300200    
 H  -0.2643000       3.759900      -2.493400    
 H    7.854600     -0.6496000      0.5020000    
 H    7.079700      -2.992300      0.2607000    
 H   -1.441400       4.390500     -0.4028000    
 H   -5.243600       1.297300       3.604500    
 H   -5.154200       1.745800       1.886900    
 H   -3.655800       1.591900       2.861400    
 H   -5.005400      0.9445000      -2.607800    
 H   -4.992200     -7.0600003E-02  -4.066800    
 H   -3.450800      0.4808000      -3.374100    
 H   -6.590100      -2.204300     -0.6925000    
 H   -7.787400      -1.075600     -2.1199999E-02
 H   -6.649300      -1.891400       1.072900    


%chk=000063516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063516

0 1
O 4.458792 2.009169 0.382524
O 0.054215 -0.441712 1.529575
O -4.935586 -0.884519 2.344951
O -4.385783 -1.008008 -2.582575
O -6.117980 -1.163501 -0.280800
N 2.538196 0.804184 -0.251610
N 2.578932 -1.585910 -0.581269
C 1.930234 -0.431607 -0.566129
C 0.451377 -0.472070 -0.886144
C 1.796724 2.062267 -0.327810
C 3.933301 0.892712 0.106454
C 4.644870 -0.397882 0.101160
C 3.944130 -1.595188 -0.248285
C 1.414692 2.748227 0.857214
C -0.443522 -0.504685 0.369434
C -1.922446 -0.633088 0.166489
C 1.512489 2.584235 -1.610023
C 6.024168 -0.448488 0.432703
C 4.644124 -2.833287 -0.259559
C 0.699972 3.963864 0.696659
C 1.776465 2.233546 2.233361
C -2.509861 -0.698351 -1.122657
C -2.755038 -0.672775 1.315966
C 0.799997 3.794495 -1.742074
C 6.703537 -1.677575 0.418281
C 6.008513 -2.871505 0.070919
C 0.388217 4.483863 -0.578739
C -4.144929 -0.807423 1.175774
C -3.904987 -0.849118 -1.273366
C -4.735487 -0.945639 -0.118226
C -5.926068 0.208003 2.499823
C -5.519985 -0.153481 -3.002843
C -6.610887 -2.449279 0.282803
H 0.137852 0.374302 -1.522108
H 0.280676 -1.403163 -1.455246
H 1.869225 2.047241 -2.496495
H 6.528597 0.487551 0.693653
H 4.087981 -3.736863 -0.526546
H 0.392403 4.510920 1.595509
H 2.867010 2.323386 2.392725
H 1.264518 2.815178 3.018471
H 1.500556 1.170799 2.349060
H -1.912608 -0.658557 -2.037533
H -2.309749 -0.597630 2.312055
H 0.582432 4.197955 -2.736624
H 7.767463 -1.720547 0.674312
H 6.543524 -3.827630 0.062975
H -0.163225 5.426824 -0.664429
H -6.465280 -0.019178 3.431634
H -6.624653 0.234235 1.644170
H -5.404736 1.178997 2.593602
H -6.398364 -0.319634 -2.358858
H -5.732166 -0.456044 -4.039232
H -5.220896 0.912043 -2.976298
H -6.145099 -3.293283 -0.256945
H -7.697717 -2.442306 0.111847
H -6.384129 -2.510974 1.361220


