%chk=000229732.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229732

0 1
N -2.875542 -1.008097 1.082315
N 1.956212 0.419237 -0.467676
N -2.300814 -0.478772 -1.070984
N 3.229498 -1.484162 -0.354599
C 0.103298 -2.406544 0.112494
C -1.382480 -2.657474 -0.187875
C 0.833133 -1.788502 -1.091415
C -2.171737 -1.397431 -0.091055
C 2.008328 -0.991174 -0.646749
C -3.491301 0.227961 0.801636
C 3.233208 0.823257 -0.036032
C -3.118210 0.545130 -0.552160
C 4.018865 -0.382863 0.028847
C -2.967368 -1.743956 2.346438
C 0.809092 1.305275 -0.681590
C -4.309741 1.085983 1.557850
C 3.779619 2.075823 0.297127
C -3.576279 1.735824 -1.148912
C 5.367044 -0.322123 0.432709
C -4.740525 2.249906 0.943563
C 5.106795 2.099986 0.690522
C -4.379389 2.570823 -0.392002
C 5.890472 0.917021 0.757482
H 0.205602 -1.750202 1.000461
H 0.598653 -3.358851 0.390554
H -1.499357 -3.081025 -1.213482
H -1.785370 -3.434965 0.492474
H 0.135060 -1.156842 -1.691046
H 1.173516 -2.590262 -1.784532
H -1.996657 -2.204769 2.604752
H -3.245961 -1.067820 3.174803
H -3.731269 -2.541265 2.285068
H 1.077333 2.141088 -1.351544
H -0.035816 0.754448 -1.146003
H 0.449806 1.724258 0.275447
H -4.590577 0.839794 2.576329
H 3.179316 2.977531 0.244520
H -3.299860 1.967956 -2.175451
H 5.958053 -1.234444 0.478722
H -5.377064 2.945592 1.489708
H 5.574316 3.046559 0.957908
H -4.753427 3.499424 -0.821176
H 6.928926 1.001068 1.073055


%chk=000229732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229732

0 1
N -3.514626 -1.249686 0.934754
N 2.401529 0.588808 -0.183701
N -1.840460 0.261450 0.548367
N 3.346655 -1.490846 -0.406257
C 0.336571 -1.504482 1.337753
C -1.122492 -2.002658 1.446243
C 0.838575 -1.433666 -0.132160
C -2.129952 -0.986756 0.968917
C 2.195725 -0.805130 -0.251251
C -4.145276 -0.086021 0.461402
C 3.783520 0.801850 -0.310612
C -3.084599 0.850405 0.223334
C 4.361195 -0.507372 -0.446666
C -4.207324 -2.481135 1.319591
C 1.393184 1.646278 -0.043180
C -5.499588 0.226349 0.225610
C 4.561786 1.977591 -0.322066
C -3.381047 2.141268 -0.267418
C 5.759122 -0.646981 -0.596461
C -5.775982 1.521538 -0.264431
C 5.956813 1.816261 -0.472705
C -4.733801 2.463417 -0.507233
C 6.545940 0.524587 -0.607286
H 0.407081 -0.507637 1.808783
H 0.996559 -2.185547 1.906236
H -1.234767 -2.944327 0.869149
H -1.341236 -2.261404 2.502997
H 0.100053 -0.874993 -0.734912
H 0.917184 -2.454424 -0.545199
H -3.475115 -3.237849 1.638329
H -4.903539 -2.293887 2.157418
H -4.781145 -2.888339 0.467335
H 1.380384 2.289116 -0.943343
H 0.389999 1.209616 0.097416
H 1.622934 2.277898 0.834939
H -6.306693 -0.490734 0.409461
H 4.116009 2.972994 -0.220284
H -2.579461 2.863223 -0.452345
H 6.206330 -1.640503 -0.700839
H -6.814108 1.809905 -0.462938
H 6.601463 2.702406 -0.486775
H -4.992744 3.457399 -0.887794
H 7.632749 0.444419 -0.721679


