%chk=000183814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183814

0 1
O 5.301165 -0.227438 -1.090619
O 4.084987 -2.805651 0.834056
O 2.714804 -2.458537 -0.930721
O -6.620079 -2.477453 -0.010933
N 0.153949 2.179766 0.072785
N -1.968729 -0.906536 -0.543197
C 2.407905 0.340897 -0.179823
C 2.569702 1.785547 0.354898
C 0.971944 -0.145490 0.083532
C -0.040954 0.822152 -0.563166
C 3.452913 -0.576600 0.494710
C 1.508172 2.712462 -0.280675
C 3.985589 2.315283 0.075786
C 4.899792 -0.059243 0.269722
C 5.047741 1.406270 0.701276
C -1.461186 0.401651 -0.338285
C -0.934501 3.145712 -0.294035
C -2.494465 1.244218 0.041757
C -2.269098 2.681477 0.332414
C 3.343466 -2.000982 -0.006720
C -3.704323 0.463943 0.096820
C -3.341747 -0.882062 -0.272630
C -5.042006 0.755675 0.415929
C -4.285927 -1.926177 -0.328315
C -5.986409 -0.253074 0.368203
C -5.588435 -1.567780 -0.001837
C 4.169069 -4.214713 0.491971
H 2.590897 0.327357 -1.282736
H 2.395063 1.775899 1.460788
H 0.772336 -0.210630 1.171745
H 0.836561 -1.164749 -0.327340
H 0.140792 0.854953 -1.674218
H 3.266086 -0.587363 1.602184
H 1.604337 3.732529 0.150293
H 1.672719 2.808356 -1.374470
H 4.092377 3.340910 0.479692
H 4.159186 2.406231 -1.013584
H 5.628229 -0.720275 0.802111
H 6.059472 1.760033 0.414683
H 5.004805 1.473928 1.805694
H -1.056821 3.261565 -1.392135
H -0.665542 4.142565 0.115199
H -3.101242 3.304872 -0.046845
H -2.237708 2.829689 1.434588
H -1.428641 -1.705272 -0.812231
H 4.740860 0.299218 -1.696863
H -5.321197 1.770095 0.697609
H -4.005294 -2.930687 -0.606242
H -7.031992 -0.076400 0.606307
H 4.588104 -4.659582 1.400204
H 4.840519 -4.325675 -0.365481
H 3.174517 -4.609998 0.261017
H -6.319061 -3.381386 -0.270271


%chk=000183814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183814

0 1
O 5.407399 -0.249589 -1.019545
O 4.098983 -2.876235 0.831372
O 2.851194 -2.391604 -1.071426
O -6.664697 -2.568418 0.075179
N 0.139077 2.210397 -0.000282
N -1.992950 -0.863428 -0.514592
C 2.409480 0.343059 -0.137321
C 2.568998 1.804189 0.363386
C 0.957001 -0.134258 0.101748
C -0.051645 0.840087 -0.557002
C 3.458735 -0.584611 0.529988
C 1.500659 2.709087 -0.286653
C 4.000802 2.327547 0.117084
C 4.924540 -0.052890 0.361982
C 5.043952 1.419477 0.806634
C -1.489914 0.442789 -0.349353
C -0.936689 3.158276 -0.393123
C -2.524985 1.292075 0.022643
C -2.285260 2.762338 0.254018
C 3.404554 -2.009575 -0.014564
C -3.731150 0.490624 0.106572
C -3.365347 -0.860296 -0.240311
C -5.085461 0.765404 0.432299
C -4.301760 -1.917919 -0.267936
C -6.030690 -0.274842 0.411193
C -5.636338 -1.598852 0.064597
C 4.211491 -4.279526 0.364400
H 2.580562 0.330842 -1.238225
H 2.374759 1.809924 1.457417
H 0.741162 -0.182235 1.186550
H 0.832518 -1.145691 -0.326915
H 0.172135 0.845240 -1.662734
H 3.263256 -0.633529 1.620210
H 1.588312 3.733515 0.122611
H 1.700633 2.775074 -1.391556
H 4.100310 3.362762 0.496785
H 4.200878 2.380897 -0.974828
H 5.600950 -0.691174 0.953436
H 6.072118 1.761459 0.587412
H 4.905743 1.471828 1.905570
H -1.060844 3.198330 -1.505794
H -0.636721 4.167728 -0.056041
H -3.096456 3.375729 -0.186124
H -2.253608 2.991662 1.337666
H -1.441361 -1.676093 -0.780236
H 4.815524 0.237395 -1.647689
H -5.399280 1.779931 0.701748
H -4.010868 -2.942165 -0.534437
H -7.081777 -0.098673 0.657537
H 4.800704 -4.787314 1.140541
H 4.723119 -4.312526 -0.611734
H 3.209524 -4.730346 0.265957
H -6.308570 -3.456376 -0.175512


