%chk=000183602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183602

0 1
O 0.724819 1.220874 0.001169
O 1.515706 -0.944665 0.002652
N 2.936004 0.943845 0.002239
C -3.304633 0.175548 -0.000284
C -4.749716 -0.150121 -0.000831
C -2.623733 0.327289 1.218858
C -2.622519 0.325978 -1.218911
C -0.614894 0.781903 0.000729
C 4.233232 0.330151 0.003724
C -1.260803 0.630252 1.230883
C -1.259577 0.628928 -1.229905
C 6.817006 -0.754321 0.008843
C -5.165337 -1.489951 -0.000093
C -5.701439 0.880323 -0.002078
C 5.351192 1.187213 0.003133
C 4.402593 -1.064131 0.005777
C 6.632544 0.637850 0.005282
C 5.691932 -1.594491 0.007971
C -6.529186 -1.794403 -0.000609
C -7.063631 0.568122 -0.002585
C -7.478954 -0.767504 -0.001854
C 8.193538 -1.334097 -0.003289
C 1.732584 0.241473 0.002233
H -3.161963 0.203664 2.159082
H -3.159816 0.201342 -2.159532
H -0.711425 0.746973 2.162402
H -0.709275 0.744650 -2.160997
H -4.424440 -2.288266 0.000881
H -5.376910 1.919505 -0.002642
H 5.227907 2.267687 0.001120
H 3.535096 -1.732602 0.005796
H 7.497501 1.300232 0.003675
H 5.821528 -2.676841 0.008490
H 2.894055 1.967564 0.001685
H -6.852096 -2.834332 -0.000036
H -7.802737 1.367637 -0.003550
H 8.540361 -1.491924 -1.035612
H 8.926322 -0.681486 0.489467
H 8.240137 -2.306209 0.505969
H -8.540375 -1.007659 -0.002251


%chk=000183602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183602

0 1
O 0.756508 1.273407 -0.004000
O 1.504332 -0.982368 0.000899
N 2.976449 0.880896 -0.000836
C -3.364495 0.220030 -0.001897
C -4.824035 -0.135931 -0.001093
C -2.660117 0.387282 1.219122
C -2.661334 0.387055 -1.223644
C -0.616363 0.869217 -0.003347
C 4.269894 0.284173 0.002766
C -1.285771 0.711324 1.224852
C -1.286954 0.711016 -1.230839
C 6.926547 -0.777071 0.013897
C -5.232293 -1.495530 -0.000733
C -5.818146 0.877271 -0.000613
C 5.392747 1.151919 0.005708
C 4.474334 -1.119504 0.008136
C 6.698610 0.623147 0.012617
C 5.790806 -1.626064 0.015143
C -6.604729 -1.834307 0.000066
C -7.190875 0.538802 0.000204
C -7.588284 -0.818244 0.000540
C 8.335305 -1.344431 -0.009841
C 1.753184 0.241786 -0.001061
H -3.192015 0.259135 2.167966
H -3.194189 0.258735 -2.171927
H -0.737122 0.838710 2.163234
H -0.739225 0.838171 -2.169785
H -4.471241 -2.284093 -0.001083
H -5.511707 1.929604 -0.000855
H 5.245090 2.239635 0.007298
H 3.614300 -1.792639 0.011056
H 7.553352 1.310234 0.018204
H 5.935221 -2.713387 0.022733
H 2.928725 1.902243 -0.002549
H -6.904794 -2.888358 0.000330
H -7.947002 1.332105 0.000589
H 8.687288 -1.499443 -1.048598
H 9.054592 -0.665614 0.481650
H 8.386150 -2.321865 0.501516
H -8.652147 -1.081049 0.001176


