%chk=000055596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055596

0 1
 O   -1.984900      0.8736000      -1.507700    
 O    2.612200       1.915100     -0.7578000    
 O   -3.683100       2.120100      0.1548000    
 N   -2.223100      -2.439600     -0.5068000    
 N    3.905700      -1.036700      0.5190000    
 C   -3.286900      -1.699200      -1.174400    
 C   -2.677900      -2.960300      0.7748000    
 C   -2.793200      -1.151100      -2.509300    
 C    4.439800     -0.3338000     -0.6412000    
 C    3.538500      -2.403200      0.1750000    
 C    4.809900       1.098200     -0.2685000    
 C   -1.596400     -0.2277000      -2.326100    
 C    3.605700       1.867900      0.2569000    
 C   -2.647900      -1.861300       1.833100    
 C   -1.800600      -4.139200       1.183900    
 C    2.183800      -2.426000     -0.5273000    
 C    3.514700      -3.256200       1.439300    
 C   -1.022600       1.426400     -0.7165000    
 C    1.306000       1.950700     -0.3434000    
 C   -1.351900       2.023100      0.5005000    
 C   0.3063000       1.390400      -1.138600    
 C   0.9767000       2.547400      0.8736000    
 C  -0.3523000       2.583700       1.295600    
 C   -2.733000       2.072000      0.9598000    
 C   -3.045800       2.065900       2.451200    
 H   -3.649600     -0.8701000     -0.5583000    
 H   -4.142600      -2.357600      -1.368800    
 H   -3.702300      -3.346700      0.6928000    
 H   -3.614700     -0.5954000      -2.977500    
 H   -2.525500      -1.972200      -3.185000    
 H    5.342800     -0.8377000      -1.007400    
 H    3.721700     -0.3145000      -1.467500    
 H    4.290500      -2.848900     -0.4892000    
 H    5.199600       1.596800      -1.164300    
 H    5.608100       1.104100      0.4832000    
 H   -1.929500      -3.206500      -1.111800    
 H    4.613600      -1.039200       1.253400    
 H   -1.289000      0.1576000      -3.305300    
 H  -0.7636000     -0.8008000      -1.900100    
 H    3.250100       1.392700       1.179400    
 H    3.912200       2.893700      0.4932000    
 H   -2.908700      -2.268300       2.816500    
 H   -3.363900      -1.062800       1.617500    
 H   -1.651900      -1.411200       1.915500    
 H   -2.129600      -4.552100       2.143900    
 H   -1.850400      -4.945800      0.4438000    
 H  -0.7511000      -3.841200       1.289900    
 H    1.870700      -3.457800     -0.7228000    
 H    2.208000      -1.910500      -1.492200    
 H    1.406200      -1.957000      8.6900003E-02
 H    3.247800      -4.291900       1.202200    
 H    4.496700      -3.271900       1.925300    
 H    2.783500      -2.880200       2.164100    
 H   0.6005000      0.9645000      -2.093800    
 H    1.719400       3.025100       1.505700    
 H  -0.5807000       3.073400       2.238200    
 H   -3.064300       3.091800       2.826500    
 H   -2.310600       1.471100       3.000200    
 H   -4.024400       1.601900       2.607700    


%chk=000055596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055596

0 1
O -2.336034 0.633720 -1.154434
O 2.437239 1.128015 -0.715367
O -3.822420 1.127340 1.089645
N -3.727164 -2.652875 -1.459777
N 5.417403 -0.664731 0.794340
C -4.355994 -1.342597 -1.751639
C -4.122802 -3.297999 -0.174453
C -3.558878 -0.573286 -2.827833
C 5.063447 -0.358564 -0.610529
C 5.338982 -2.097134 1.200773
C 4.848625 1.159029 -0.799120
C -2.148993 -0.223729 -2.348054
C 3.633394 1.668156 -0.023424
C -3.438962 -2.594282 1.018601
C -3.733760 -4.789656 -0.233490
C 3.867651 -2.523853 1.399062
C 6.144058 -2.284580 2.502893
C -1.233062 1.051198 -0.432965
C 1.182765 1.382167 -0.161088
C -1.485622 1.751488 0.803982
C 0.089187 0.860628 -0.890840
C 0.964460 2.116498 1.033343
C -0.357600 2.285139 1.482995
C -2.845871 1.872118 1.410017
C -3.052350 2.926776 2.507897
H -4.354920 -0.733262 -0.832039
H -5.418808 -1.438242 -2.082375
H -5.230886 -3.234756 -0.024120
H -4.099583 0.356825 -3.087083
H -3.471927 -1.177319 -3.754480
H 5.830541 -0.717498 -1.339475
H 4.120210 -0.876593 -0.857421
H 5.789754 -2.757606 0.416664
H 4.720268 1.390881 -1.873239
H 5.745081 1.710479 -0.449015
H -3.859078 -3.305929 -2.246697
H 6.340403 -0.270794 1.030237
H -1.577919 0.329618 -3.121351
H -1.608617 -1.142679 -2.049122
H 3.668054 1.285316 1.014926
H 3.578952 2.775162 -0.023235
H -3.773964 -3.042865 1.973049
H -3.669718 -1.515118 1.048792
H -2.341817 -2.706169 0.937971
H -3.986042 -5.297549 0.714254
H -4.263658 -5.315305 -1.052276
H -2.645466 -4.889228 -0.403920
H 3.806937 -3.595484 1.664911
H 3.267602 -2.369582 0.484563
H 3.409942 -1.927870 2.209029
H 6.084355 -3.330239 2.852817
H 7.213496 -2.036454 2.356836
H 5.740203 -1.628129 3.295870
H 0.302149 0.324946 -1.818521
H 1.794666 2.534508 1.607225
H -0.517437 2.832931 2.416865
H -2.635173 3.910211 2.227954
H -2.572601 2.609699 3.453898
H -4.133996 3.021707 2.689775


