%chk=000297847.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297847

0 1
O -5.433774 -1.219450 1.364663
O -3.295962 1.239718 -0.103907
O -4.928992 0.960381 -1.648931
O -1.580841 -2.363015 -1.186521
O 2.502277 -1.666278 -1.232634
O 1.705194 0.010541 0.119181
N -2.799697 -1.205053 0.366685
N 0.813583 -2.160250 0.182491
C -3.929192 -0.999724 -0.561168
C -5.250236 -1.615057 0.007410
C -4.149167 0.485063 -0.861841
C -5.257010 -3.128168 -0.137202
C -1.620463 -1.790691 -0.112253
C -0.433193 -1.744189 0.852945
C -3.320257 2.698631 -0.280523
C -1.991419 3.170026 0.235093
C -1.901393 4.411481 0.881635
C -0.844268 2.382295 0.066548
C 1.659207 -1.136853 -0.281268
C 3.635691 -0.832162 -1.645843
C 4.771941 -1.003866 -0.680060
C -0.663677 4.858645 1.352117
C 0.387503 2.828525 0.552602
C 0.479810 4.068093 1.192435
C 4.786641 -0.272745 0.517461
C 5.819030 -1.889289 -0.971278
C 5.848839 -0.420837 1.412099
C 6.881297 -2.032077 -0.073544
C 6.898151 -1.297971 1.116549
H -3.696808 -1.505517 -1.551766
H -6.129545 -1.140506 -0.499290
H -2.784562 -0.561781 1.163786
H -5.333846 -3.438951 -1.187409
H -6.115624 -3.564680 0.391926
H -4.348910 -3.594377 0.265741
H -0.613279 -2.442504 1.707978
H -0.303523 -0.724174 1.300854
H -4.869614 -1.743425 1.970338
H -4.183223 3.064696 0.303759
H -3.469130 2.926038 -1.354126
H 0.726018 -2.999617 -0.407529
H -2.787329 5.027963 1.018326
H -0.914852 1.419609 -0.439230
H 3.836142 -1.250404 -2.651121
H 3.297794 0.218776 -1.728555
H -0.591213 5.824994 1.848627
H 1.273147 2.196943 0.431088
H 1.440147 4.417550 1.566710
H 3.957885 0.402076 0.750531
H 5.806162 -2.470363 -1.892042
H 5.858344 0.146582 2.341391
H 7.694926 -2.718621 -0.301360
H 7.726269 -1.410733 1.814231


%chk=000297847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297847

0 1
O -3.225794 -0.410319 2.035866
O -2.310499 0.665273 -1.144471
O -4.610987 1.003567 -0.894651
O -3.100232 -3.532800 -1.852547
O 1.687347 -0.688461 -1.388066
O 0.348567 -1.381453 0.429848
N -2.374882 -1.872995 -0.369793
N 0.272452 -2.452967 -1.646763
C -3.653817 -1.175839 -0.292453
C -4.197090 -1.122914 1.176041
C -3.603786 0.265257 -0.819590
C -4.530820 -2.514685 1.725161
C -2.177538 -2.962206 -1.195306
C -0.712235 -3.465630 -1.233944
C -2.110301 2.109061 -1.486437
C -1.064655 2.696609 -0.562051
C -0.047017 3.531732 -1.085054
C -1.113327 2.449053 0.834525
C 0.744056 -1.503026 -0.773194
C 2.245004 0.429667 -0.537130
C 3.512144 0.003565 0.169193
C 0.905854 4.126103 -0.225805
C -0.155148 3.036088 1.689755
C 0.855176 3.877692 1.164852
C 3.447267 -0.656569 1.424197
C 4.779887 0.263618 -0.410043
C 4.631489 -1.052731 2.083390
C 5.965615 -0.131503 0.248869
C 5.893120 -0.790869 1.498046
H -4.378617 -1.733894 -0.915173
H -5.084282 -0.468571 1.183293
H -1.546581 -1.452533 0.082401
H -5.340287 -2.985839 1.139426
H -4.860487 -2.434078 2.775188
H -3.650935 -3.183623 1.679014
H -0.679521 -4.306428 -1.943279
H -0.434389 -3.836990 -0.229991
H -2.470360 -1.021370 2.238381
H -3.090841 2.612579 -1.388560
H -1.787760 2.138355 -2.540668
H 0.582677 -2.408518 -2.617813
H 0.000289 3.721907 -2.164861
H -1.886988 1.790814 1.247927
H 2.427635 1.226231 -1.274086
H 1.455196 0.736350 0.168592
H 1.685155 4.775891 -0.639770
H -0.197523 2.839221 2.766789
H 1.595073 4.332695 1.832700
H 2.465423 -0.862757 1.864849
H 4.837021 0.775461 -1.378757
H 4.572872 -1.561297 3.052235
H 6.940615 0.075525 -0.206274
H 6.811766 -1.096154 2.011791


