%chk=000198919.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198919

0 1
N 1.707079 -0.009810 0.783086
C -0.585779 0.642664 -0.028261
C -1.120160 -0.811380 0.181918
C -0.794027 1.487532 1.259446
C -1.294831 1.316919 -1.234393
C 0.946927 0.612615 -0.349364
C -2.627105 -0.842902 0.513952
C -0.849514 -1.724140 -1.034473
C -2.042269 2.375513 1.216061
C -1.239260 2.846711 -1.163259
C -1.988477 3.391399 0.064176
C -3.117934 -2.273285 0.774022
C -1.333483 -3.158562 -0.778547
C -2.825682 -3.189584 -0.421750
C 2.744638 0.901770 1.343313
C 2.304754 -1.332211 0.421187
C 3.936019 1.198981 0.406856
C 3.768047 -1.290157 -0.065780
C 4.151505 0.083545 -0.626636
H -0.565186 -1.234363 1.058249
H 0.090671 2.132937 1.426419
H -0.825676 0.821712 2.141868
H -2.355934 0.993212 -1.261582
H -0.855780 0.966522 -2.184916
H 1.283410 1.653763 -0.539533
H 1.113502 0.075323 -1.305862
H -3.200725 -0.393395 -0.321189
H -2.835314 -0.214500 1.400455
H 0.239789 -1.742183 -1.254248
H -1.345920 -1.318929 -1.934226
H -2.153699 2.907521 2.179030
H -2.946518 1.743844 1.113793
H -1.665657 3.280541 -2.086294
H -0.183566 3.178252 -1.130494
H -3.018718 3.676274 -0.218926
H -1.499993 4.322356 0.406799
H -4.202600 -2.264717 0.987221
H -2.629595 -2.676474 1.681911
H -0.745079 -3.610370 0.043021
H -1.145992 -3.782770 -1.671359
H -3.140390 -4.224131 -0.193736
H -3.426093 -2.869211 -1.294272
H 3.115399 0.426035 2.278674
H 2.250704 1.847901 1.649660
H 1.658845 -1.832317 -0.338929
H 2.239117 -1.957334 1.339999
H 4.849436 1.332207 1.015112
H 3.779895 2.159908 -0.115570
H 3.931241 -2.070245 -0.830619
H 4.443964 -1.542498 0.773824
H 3.552250 0.293208 -1.533679
H 5.207162 0.074706 -0.955655


%chk=000198919-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198919

0 1
N 1.776029 0.077800 0.670771
C -0.612543 0.672601 -0.099205
C -1.135208 -0.805926 0.069467
C -0.828249 1.502182 1.217891
C -1.318463 1.402485 -1.291362
C 0.931590 0.641073 -0.405579
C -2.563207 -0.937210 0.670694
C -1.079758 -1.638077 -1.245149
C -2.108501 2.370962 1.195234
C -1.249898 2.943109 -1.164110
C -2.038570 3.452666 0.079780
C -2.953799 -2.416877 0.912873
C -1.447004 -3.122716 -1.008283
C -2.852757 -3.257628 -0.380458
C 2.785061 0.980489 1.265159
C 2.299912 -1.304278 0.494893
C 4.042819 1.188684 0.355083
C 3.845198 -1.343967 0.263671
C 4.290899 -0.081301 -0.508856
H -0.442337 -1.277318 0.801479
H 0.036677 2.179843 1.367160
H -0.823102 0.824400 2.091780
H -2.383369 1.099387 -1.345436
H -0.857698 1.083382 -2.248172
H 1.251111 1.686301 -0.597674
H 1.099374 0.093248 -1.359305
H -3.305975 -0.479114 -0.016705
H -2.628527 -0.389034 1.628014
H -0.076996 -1.579278 -1.709589
H -1.791897 -1.208481 -1.979728
H -2.253576 2.855999 2.180664
H -2.993384 1.729179 1.032287
H -1.640855 3.419360 -2.084001
H -0.189133 3.254472 -1.086541
H -3.065833 3.743308 -0.214869
H -1.554095 4.368130 0.472490
H -3.979722 -2.472355 1.327875
H -2.275225 -2.847988 1.678687
H -0.698583 -3.579921 -0.327131
H -1.397317 -3.683643 -1.962579
H -3.082913 -4.320427 -0.169419
H -3.611846 -2.901927 -1.108228
H 3.101930 0.543471 2.233211
H 2.312573 1.950121 1.502928
H 1.790706 -1.755600 -0.377637
H 2.043065 -1.932955 1.374778
H 4.924175 1.397342 0.994294
H 3.909100 2.068764 -0.302851
H 4.114374 -2.266083 -0.285701
H 4.379444 -1.384507 1.233814
H 3.704557 -0.014739 -1.447116
H 5.355144 -0.149003 -0.802793


