%chk=000186886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186886

0 1
N -1.978122 0.568790 -0.002821
N 0.365268 0.014382 0.003752
N -0.440574 2.337178 -0.003017
N 2.721959 -0.311564 0.009553
N 1.941208 1.911605 0.003225
C -2.500331 -0.844823 -0.001339
C -4.037878 -0.728937 -0.004948
C -2.022987 -1.572078 -1.265234
C -2.028537 -1.567456 1.267270
C -0.657937 0.948571 -0.000675
C 1.648374 0.543068 0.005231
C 2.546250 -1.788234 0.012628
C 0.857578 2.735660 -0.000869
C 3.904551 -2.476013 -0.019406
H -4.413216 -0.209229 -0.893657
H -4.496123 -1.725194 -0.003753
H -4.417110 -0.205363 0.879831
H -0.926966 -1.674631 -1.274603
H -2.299416 -1.033101 -2.177457
H -2.444594 -2.579218 -1.328200
H -2.309846 -1.025704 2.176339
H -2.449543 -2.574769 1.331507
H -0.932464 -1.669090 1.282318
H -2.666904 1.327212 -0.005717
H 1.966955 -2.085259 0.919428
H 1.925403 -2.084613 -0.866695
H 3.662502 0.076530 0.011991
H 1.052592 3.821554 -0.002488
H 4.479606 -2.217773 -0.918117
H 4.519883 -2.222038 0.853359
H 3.783620 -3.567464 -0.019238


%chk=000186886-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186886

0 1
N -1.949497 0.547744 -0.001660
N 0.369384 0.010001 0.000943
N -0.446026 2.321775 -0.001907
N 2.697462 -0.326969 0.002429
N 1.950767 1.888951 0.000501
C -2.505056 -0.838472 -0.001052
C -4.045639 -0.678152 -0.000432
C -2.053241 -1.599206 -1.276144
C -2.052117 -1.598570 1.274012
C -0.638723 0.942213 -0.000879
C 1.636830 0.537012 0.001420
C 2.568123 -1.791575 0.005439
C 0.858685 2.701793 -0.001094
C 3.957298 -2.450786 -0.010109
H -4.389981 -0.133618 -0.899713
H -4.526696 -1.670930 -0.000043
H -4.389198 -0.133272 0.898935
H -0.954048 -1.672585 -1.302186
H -2.396658 -1.073187 -2.185196
H -2.481212 -2.618329 -1.278571
H -2.394555 -1.071977 2.183102
H -2.480353 -2.617576 1.277399
H -0.952912 -1.672162 1.299018
H -2.606467 1.332234 -0.002742
H 1.996367 -2.110407 0.898904
H 1.975860 -2.110548 -0.874183
H 3.621301 0.108551 0.005560
H 1.053793 3.779276 -0.001719
H 4.526459 -2.165666 -0.914042
H 4.547593 -2.164060 0.879785
H 3.855655 -3.549503 -0.007574


