%chk=000190931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190931

0 1
O -1.686805 -2.888452 -1.083776
O 3.527259 -3.317328 -0.235998
N -0.510782 0.420260 0.754655
N 2.727624 2.589179 -0.000244
C 0.269332 2.651250 -0.277397
C -0.007494 1.804210 0.990111
C -1.897584 0.207835 0.546948
C 0.497642 -0.564238 0.471237
C -1.779097 -1.501290 -1.434219
C -0.398875 -0.957508 -1.843853
C -2.477447 -0.719741 -0.346702
C 1.609133 2.256617 -0.944175
C 0.608866 -1.225221 -0.774849
C -0.869333 2.583662 -1.294393
C 1.413719 -0.853636 1.502263
C -2.764410 0.971672 1.385619
C 1.631592 -2.153822 -0.980181
C -3.870307 -0.939507 -0.288155
C 2.445799 -1.769516 1.303235
C 2.540128 -2.405498 0.057688
C -4.131944 0.758343 1.393461
C -4.698088 -0.222441 0.564759
C 3.241505 3.970056 -0.242873
C 3.834658 1.594058 -0.114095
H 0.359862 3.711903 0.077028
H 0.937470 1.742273 1.583318
H -0.742511 2.342641 1.632711
H -2.430094 -1.554279 -2.346065
H -0.477880 0.142168 -2.041733
H -0.097075 -1.420856 -2.804905
H 1.705835 2.763996 -1.926231
H 1.606556 1.167930 -1.164441
H -0.748795 3.327794 -2.087633
H -1.841775 2.761719 -0.818423
H -0.928621 1.590792 -1.773768
H 1.315412 -0.355077 2.468603
H -2.334571 1.719584 2.053429
H 1.731683 -2.690846 -1.922480
H -4.306120 -1.699903 -0.942268
H 3.149045 -1.986270 2.100407
H -4.771412 1.345606 2.052215
H -5.766800 -0.412178 0.590254
H -1.198519 -3.007897 -0.242067
H 2.412050 4.687956 -0.144998
H 3.715842 4.122689 -1.223280
H 3.978362 4.216808 0.538296
H 4.616535 1.840263 0.621321
H 4.303530 1.531228 -1.106433
H 3.443926 0.595599 0.150288
H 4.114872 -3.489589 0.539187


%chk=000190931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190931

0 1
O -1.667713 -3.037843 -1.257531
O 3.400741 -3.728377 0.389728
N -0.408825 0.493538 0.522163
N 2.730764 2.546729 -0.311894
C 0.231575 2.889630 -0.126957
C 0.079212 1.819508 0.993480
C -1.813890 0.210726 0.421829
C 0.551205 -0.585099 0.509783
C -1.629629 -1.579386 -1.540630
C -0.181526 -1.132776 -1.840288
C -2.370562 -0.773193 -0.467839
C 1.437555 2.542858 -1.039432
C 0.712429 -1.393235 -0.651160
C -1.043774 3.118717 -0.966007
C 1.363543 -0.839742 1.643455
C -2.721821 0.924094 1.265752
C 1.655936 -2.444849 -0.651694
C -3.769719 -1.020538 -0.427275
C 2.326630 -1.869302 1.633380
C 2.469082 -2.676238 0.479195
C -4.104015 0.669333 1.270949
C -4.644984 -0.325559 0.424897
C 3.274668 3.904618 -0.110863
C 3.731680 1.632840 -0.901316
H 0.465284 3.837360 0.405443
H 1.091949 1.681898 1.409377
H -0.554627 2.222500 1.803103
H -2.216758 -1.519527 -2.474411
H -0.189761 -0.052674 -2.087167
H 0.173271 -1.691198 -2.723688
H 1.453623 3.245664 -1.911384
H 1.280572 1.528646 -1.451505
H -0.889320 3.938133 -1.693230
H -1.907042 3.383114 -0.329893
H -1.319305 2.210587 -1.532724
H 1.234573 -0.235949 2.547586
H -2.337655 1.677724 1.956829
H 1.780018 -3.079183 -1.534592
H -4.162458 -1.791188 -1.101174
H 2.945732 -2.049555 2.521792
H -4.752741 1.238048 1.947171
H -5.717790 -0.543688 0.424050
H -1.165959 -3.198891 -0.415605
H 2.533896 4.544433 0.399541
H 3.559077 4.407979 -1.070586
H 4.174567 3.854785 0.528405
H 4.636832 1.615981 -0.266978
H 4.045506 1.922788 -1.936129
H 3.322250 0.607971 -0.937634
H 3.909601 -3.819216 1.233076


