%chk=000205791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205791

0 1
O 2.520301 0.103835 1.212159
O -4.389659 2.799414 1.104925
N 3.880056 -0.271948 -0.580152
N -2.510895 2.366479 -0.125295
N -0.880446 -3.802788 -0.060829
N -2.936056 -2.932992 -0.116803
N -1.686106 -2.714789 -0.070294
N 3.152295 4.380959 -1.303175
N -0.221365 1.123344 1.760817
N 5.402437 3.649648 -1.822958
N 1.243417 2.790437 0.821926
C 4.405953 1.114463 -0.597004
C -1.841238 3.628168 0.260486
C 3.658552 1.976799 -1.628474
C 2.424385 -2.075997 0.215517
C -0.988234 3.476460 1.533035
C 2.926885 -0.665717 0.346478
C -4.198837 0.613093 0.127456
C 1.043374 -2.253185 0.121723
C 0.525494 -3.560101 0.030745
C -3.734465 2.005777 0.448936
C 3.295765 -3.170809 0.223839
C -3.310625 -0.464099 0.187212
C 1.392038 -4.672428 0.032111
C -3.769543 -1.755395 -0.131209
C 2.768473 -4.463748 0.131839
C -5.542938 0.407424 -0.209965
C 4.154700 3.408615 -1.560646
C 0.115424 2.454886 1.367687
C -5.118141 -1.968917 -0.476530
C -5.994639 -0.882999 -0.508305
H 4.310849 1.559461 0.423028
H 5.495396 1.086199 -0.839066
H -2.617352 4.414163 0.430766
H -1.205030 3.959748 -0.591808
H 3.831019 1.591651 -2.657233
H 2.561497 1.916996 -1.471383
H -0.534811 4.463075 1.780083
H -1.642632 3.230675 2.394990
H 4.160918 -0.879352 -1.343944
H -1.903212 1.658067 -0.534693
H 0.376409 -1.385489 0.131668
H 4.370571 -3.023802 0.317490
H -2.269298 -0.310788 0.484747
H 1.001517 -5.685917 -0.038901
H -6.231539 1.255716 -0.228788
H 3.441655 -5.322856 0.140474
H -5.465824 -2.975697 -0.714144
H -7.041888 -1.041729 -0.767946
H -1.233933 -4.766363 -0.085983
H 3.456585 5.293262 -0.995918
H 2.305783 4.082009 -0.820033
H 0.565635 0.480124 1.889139
H -0.919811 1.012782 2.482087
H 5.749425 4.602300 -1.795664
H 1.985007 2.080777 0.768279


%chk=000205791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205791

0 1
O 2.263774 0.134915 1.016730
O -4.652638 2.920294 0.547281
N 4.061286 -0.313043 -0.378811
N -2.554447 2.251172 -0.211529
N -0.898851 -3.781632 -0.075152
N -2.994506 -3.016844 -0.031142
N -1.725032 -2.699145 0.004729
N 3.470954 4.285416 -0.674586
N -0.211143 1.495610 1.769139
N 5.555355 3.672441 -1.789096
N 1.286731 2.984669 0.652732
C 4.557297 1.080495 -0.358576
C -1.935628 3.580130 -0.116969
C 3.862515 1.971827 -1.426304
C 2.441128 -2.104095 0.093507
C -1.016843 3.744306 1.130682
C 2.921524 -0.690067 0.288797
C -4.301992 0.549308 0.107392
C 1.045359 -2.298734 0.123094
C 0.499982 -3.591347 -0.066461
C -3.861997 1.996868 0.170364
C 3.312387 -3.208650 -0.097517
C -3.386988 -0.524492 0.077218
C 1.365538 -4.700984 -0.254945
C -3.854328 -1.866553 0.021463
C 2.762029 -4.500150 -0.261234
C -5.697704 0.280884 0.109100
C 4.349082 3.416711 -1.307596
C 0.107150 2.718507 1.181651
C -5.247519 -2.125619 0.007705
C -6.161913 -1.049895 0.056734
H 4.375294 1.486334 0.651056
H 5.644531 1.079993 -0.543542
H -2.754436 4.317699 -0.065216
H -1.342883 3.766730 -1.030452
H 4.129481 1.607769 -2.432845
H 2.766834 1.914437 -1.310436
H -0.561195 4.747716 1.092295
H -1.639572 3.682238 2.042667
H 4.478973 -0.967694 -1.042939
H -1.969858 1.482554 -0.540005
H 0.384397 -1.445794 0.284789
H 4.400091 -3.079219 -0.073529
H -2.304531 -0.366050 0.122221
H 0.954104 -5.707770 -0.394499
H -6.386345 1.130315 0.158300
H 3.425545 -5.361472 -0.391226
H -5.587152 -3.165515 -0.036034
H -7.237973 -1.252370 0.052643
H -1.318320 -4.719065 -0.168854
H 3.759282 5.251624 -0.518745
H 2.567228 3.964866 -0.252561
H 0.506349 0.760805 1.797442
H -1.093950 1.364747 2.258368
H 5.847269 4.663584 -1.649117
H 1.929575 2.170135 0.774320


