%chk=000127928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000127928

0 1
O -2.949854 -0.928766 -0.386704
O -2.046748 -3.005746 -2.146325
N 4.940457 -2.843928 0.971742
C -3.420401 0.132206 0.509298
C -4.950499 0.027765 0.388731
C -3.030755 -0.190937 1.960738
C -5.486438 -0.342427 1.781766
C -4.330955 -0.126930 2.777575
C 1.710706 0.877113 -0.345335
C -1.623009 -0.946089 -0.764906
C 0.658663 -0.115783 -0.803136
C -0.666918 -0.021032 -0.345857
C 2.219483 0.515272 1.070815
C -1.251216 -1.997366 -1.649397
C 1.181439 2.296519 -0.433290
C 1.019508 -1.146276 -1.676900
C 0.072079 -2.083669 -2.098727
C 3.163618 -0.653921 1.031623
C 1.269363 2.965124 -1.666585
C 0.600946 2.953408 0.660761
C 2.678036 -1.970105 1.038175
C 4.551156 -0.448905 0.990055
C 0.792285 4.270657 -1.797325
C 0.126977 4.262575 0.526425
C 0.221774 4.924909 -0.699969
C -3.457009 -2.989607 -1.814207
C 3.594332 -3.031452 1.007134
C 5.400529 -1.565464 0.962480
H -3.022011 1.098709 0.147503
H -5.377754 0.978971 0.030124
H -5.222212 -0.736916 -0.364266
H -2.268816 0.500685 2.351241
H -2.585789 -1.204212 2.006653
H -5.817658 -1.396102 1.798964
H -6.366184 0.264867 2.049766
H -4.427375 0.853203 3.277123
H -4.341975 -0.885733 3.577171
H 2.595393 0.806645 -1.038186
H -0.941801 0.788930 0.326294
H 1.360959 0.291226 1.737181
H 2.722784 1.398367 1.518064
H 2.044865 -1.234694 -2.033242
H 0.345861 -2.890320 -2.778546
H 1.704294 2.461439 -2.528879
H 0.513192 2.453476 1.622764
H 1.607219 -2.165858 1.050668
H 4.966310 0.554938 0.978727
H 0.864201 4.780436 -2.757061
H -0.317541 4.766417 1.383147
H -0.146508 5.943234 -0.802461
H -3.921028 -2.075096 -2.196358
H -3.820537 -3.880644 -2.337658
H -3.589021 -3.071910 -0.729717
H 3.255106 -4.074003 1.009182
H 6.489877 -1.448200 0.931749


%chk=000127928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127928

0 1
O -2.999474 -0.908329 -0.277177
O -2.161603 -3.107491 -1.858749
N 4.689182 -3.008267 1.237612
C -3.437898 0.208544 0.610974
C -4.971465 0.083329 0.699446
C -2.917288 0.008242 2.069497
C -5.198941 -0.913340 1.860985
C -4.146435 -0.465152 2.909956
C 1.706394 0.933091 -0.350260
C -1.658690 -0.952184 -0.690992
C 0.656274 -0.099782 -0.789716
C -0.685543 0.013335 -0.344548
C 2.228859 0.625505 1.098533
C -1.285861 -2.057626 -1.520638
C 1.187806 2.371445 -0.501689
C 1.016982 -1.201464 -1.597708
C 0.049021 -2.165184 -1.958579
C 3.071664 -0.634847 1.165083
C 1.072319 2.920376 -1.806519
C 0.793871 3.173884 0.598932
C 2.516622 -1.899289 1.484299
C 4.461663 -0.595279 0.881692
C 0.584432 4.228605 -2.007543
C 0.301792 4.486037 0.402913
C 0.195172 5.019767 -0.900146
C -3.413928 -2.747130 -2.554738
C 3.349497 -3.040728 1.508793
C 5.219692 -1.786127 0.928977
H -3.110963 1.160489 0.150484
H -5.395854 1.072513 0.961129
H -5.406726 -0.232452 -0.263665
H -2.481744 0.941457 2.471718
H -2.116352 -0.751728 2.067745
H -4.984310 -1.941407 1.515274
H -6.230707 -0.891378 2.253160
H -4.549269 0.377364 3.503834
H -3.882498 -1.270929 3.616766
H 2.575338 0.821463 -1.029760
H -0.964578 0.870988 0.274969
H 1.362917 0.536311 1.781062
H 2.834342 1.488298 1.436423
H 2.050932 -1.313393 -1.942566
H 0.308859 -3.026199 -2.582449
H 1.362999 2.309216 -2.670103
H 0.876333 2.787416 1.620672
H 1.448257 -1.998752 1.703802
H 4.952708 0.353916 0.635895
H 0.508878 4.632496 -3.023586
H 0.007348 5.090862 1.268444
H -0.181633 6.037294 -1.052649
H -3.189499 -2.241241 -3.514325
H -3.917024 -3.706944 -2.748542
H -4.044280 -2.098700 -1.924449
H 2.938278 -4.027046 1.752295
H 6.295536 -1.774854 0.718336


