%chk=000298028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298028

0 1
O -4.620633 -0.413730 -2.500308
O -3.491117 -3.590655 0.915680
O -3.978037 -3.033933 -1.196554
N -2.399785 -0.701433 0.078885
C -3.715317 -1.261599 0.535213
C -4.840131 -0.402059 -0.064965
C -4.214613 0.256045 -1.315354
C -2.680542 0.152029 -1.120845
C -1.684500 0.006472 1.191457
C -0.374215 0.591826 0.713685
C 0.722104 -0.228688 0.443235
C -0.261467 2.003619 0.549136
C -3.749684 -2.667455 -0.067581
C 1.998896 0.343211 0.089126
C 0.935200 2.548656 0.007172
C 2.050466 1.695230 -0.266559
C 3.170836 -0.547061 0.098987
C 0.588933 -1.682448 0.433284
C -1.336330 2.900778 0.884693
C 2.981848 -1.951062 0.068539
C 0.994731 3.967162 -0.229086
C 1.639840 -2.493522 0.193397
C 3.229701 2.274015 -0.982914
C 4.497161 -0.069235 0.212212
C -1.237685 4.246002 0.664955
C -0.049833 4.790464 0.087584
C 4.091537 -2.822518 -0.004304
C 5.582602 -0.933608 0.165550
C 5.382987 -2.318326 0.025899
H -3.791014 -1.341336 1.647299
H -5.735116 -0.988900 -0.342883
H -5.185322 0.355981 0.657154
H -4.566880 1.293345 -1.487855
H -2.207486 1.150586 -1.062877
H -2.216178 -0.361164 -1.995248
H -2.313435 0.795537 1.669801
H -1.481761 -0.750539 1.987684
H -4.394674 -1.384346 -2.456278
H -0.411942 -2.100102 0.573262
H -2.238960 2.476862 1.331555
H 1.905939 4.380250 -0.667491
H 1.520785 -3.574408 0.123396
H 2.979208 3.182969 -1.549297
H 3.641817 1.561043 -1.715608
H 4.039187 2.538706 -0.284279
H 4.680760 0.994492 0.373361
H -3.470731 -4.525727 0.575640
H -2.051647 4.921771 0.922636
H 0.003493 5.863141 -0.088146
H 3.923419 -3.896456 -0.071316
H 6.595415 -0.542276 0.244932
H 6.239670 -2.986209 -0.037363


%chk=000298028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298028

0 1
O -3.830624 -1.242122 -2.701872
O -3.020798 -3.174993 1.559508
O -3.548489 -3.314059 -0.693743
N -2.590264 -0.435700 0.118267
C -3.841732 -1.151579 0.506904
C -4.918613 -0.682755 -0.504136
C -4.107163 -0.184367 -1.733341
C -2.834322 0.411048 -1.081855
C -1.778091 0.109060 1.232219
C -0.449515 0.707450 0.774689
C 0.627683 -0.158669 0.440272
C -0.265356 2.126892 0.689327
C -3.501202 -2.636815 0.364586
C 1.938906 0.364790 0.059873
C 0.983541 2.645160 0.144046
C 2.058803 1.757824 -0.217440
C 3.061732 -0.595625 -0.037750
C 0.413064 -1.596856 0.403691
C -1.284788 3.075347 1.066381
C 2.783094 -2.010225 -0.086448
C 1.127655 4.072072 0.003565
C 1.423803 -2.474678 0.088695
C 3.232768 2.345438 -0.992980
C 4.438500 -0.212009 0.009875
C -1.104163 4.448520 0.920568
C 0.119914 4.955713 0.382995
C 3.844973 -2.951592 -0.225713
C 5.476585 -1.153756 -0.099646
C 5.182952 -2.534287 -0.253358
H -4.128881 -0.946259 1.556753
H -5.631825 -1.473883 -0.787615
H -5.482469 0.157603 -0.061537
H -4.651577 0.582929 -2.307768
H -3.013324 1.475563 -0.803422
H -1.982766 0.373317 -1.781445
H -2.358666 0.864704 1.807436
H -1.585462 -0.719594 1.939099
H -3.629343 -2.088873 -2.210388
H -0.599396 -1.970496 0.568086
H -2.228315 2.716512 1.486194
H 2.065506 4.479581 -0.382973
H 1.226925 -3.550961 0.016929
H 2.866125 3.089799 -1.721127
H 3.764451 1.570063 -1.563547
H 3.972549 2.860158 -0.348085
H 4.706350 0.830134 0.189689
H -2.728064 -4.116224 1.412523
H -1.897030 5.141875 1.222178
H 0.266084 6.036451 0.279791
H 3.596773 -4.018218 -0.282585
H 6.518187 -0.817527 -0.050765
H 5.992813 -3.264484 -0.356302


