%chk=000195228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195228

0 1
I -3.145656 0.028570 2.580482
O 0.156396 -2.873423 1.282464
O 1.046045 4.310141 -0.425335
O 0.329943 -1.395174 -3.408541
O 2.520287 0.028293 -3.725990
N 1.711443 0.102979 2.827647
N 0.737635 2.111693 -0.954036
N -3.263338 -2.540967 0.154910
N -2.941627 -3.104010 1.226214
N -2.766114 -3.815833 2.092311
C 1.205410 1.410507 3.376039
C 0.690170 2.304956 2.224448
C 0.613195 -0.775797 2.336763
C 1.769921 2.670308 1.202914
C 1.211809 -1.896903 1.454379
C 2.338300 2.079785 4.161804
C 1.583676 -1.409012 0.072791
C 1.151547 3.137753 -0.101399
C 0.035684 2.392295 -2.223901
C -1.496616 2.449405 -2.042086
C 0.746467 -1.677613 -1.023190
C 2.761539 -0.677069 -0.100911
C -2.027362 1.182017 -1.440827
C 1.093577 -1.197390 -2.283491
C 3.115771 -0.188042 -1.366065
C 2.282732 -0.436742 -2.457378
C -2.297407 1.113537 -0.068600
C -2.226507 0.038728 -2.237863
C -2.712413 -0.085087 0.516604
C -2.631672 -1.157933 -1.662342
C -2.850964 -1.240734 -0.264007
H 0.339450 1.244487 4.075513
H -0.151010 1.781802 1.721037
H 0.255457 3.230294 2.652673
H 2.249602 -0.388663 3.550129
H 0.005600 -1.232606 3.147712
H -0.101881 -0.175779 1.724368
H 2.445163 1.801018 1.038182
H 2.416388 3.481291 1.597351
H 2.079068 -2.392341 1.944751
H 3.260432 2.142214 3.568845
H 2.068904 3.104793 4.443563
H 2.575954 1.539296 5.083622
H 0.312107 1.601495 -2.960449
H 0.390799 3.371088 -2.628555
H 0.748800 1.139510 -0.648721
H -1.756031 3.328822 -1.413462
H -1.971725 2.648469 -3.024663
H -0.160529 -2.267471 -0.873228
H 3.404045 -0.464690 0.755690
H 0.199239 -3.552319 1.982676
H 4.030658 0.386042 -1.490315
H -2.181050 2.013726 0.542733
H -2.040460 0.091047 -3.313352
H -2.799064 -2.045486 -2.276265
H -0.428112 -2.007291 -3.216010
H 3.366025 0.545115 -3.765732


%chk=000195228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195228

0 1
I -3.399458 -0.160710 2.435610
O 0.323909 -3.059669 1.461360
O -0.375845 4.050177 0.170865
O 0.545276 -0.466269 -2.937752
O 3.199384 -0.171399 -3.428821
N 1.904756 0.099676 2.817853
N 0.392297 2.410215 -1.282905
N -3.284755 -2.596841 -0.105762
N -2.960636 -3.107047 1.004810
N -2.745606 -3.805055 1.938450
C 1.444121 1.407649 3.360549
C 0.601020 2.189585 2.316583
C 0.879075 -0.918900 2.555215
C 1.344492 2.486252 0.991094
C 1.423822 -2.102460 1.704492
C 2.680295 2.202500 3.830072
C 1.933456 -1.659126 0.346472
C 0.388105 3.055241 -0.060096
C -0.455146 2.822397 -2.411840
C -1.992058 2.686949 -2.147891
C 1.006480 -1.324318 -0.667582
C 3.312340 -1.515797 0.085676
C -2.395992 1.328788 -1.608055
C 1.438404 -0.835936 -1.917222
C 3.755946 -1.028875 -1.165171
C 2.829539 -0.677162 -2.171863
C -2.596847 1.158010 -0.214927
C -2.562898 0.194239 -2.447638
C -2.922291 -0.100959 0.335466
C -2.854473 -1.071355 -1.903123
C -3.004606 -1.253530 -0.498781
H 0.777541 1.258306 4.249319
H -0.320171 1.617101 2.093857
H 0.262435 3.139020 2.770881
H 2.695748 -0.273129 3.359439
H 0.423612 -1.342211 3.490827
H 0.052378 -0.460281 1.984839
H 1.841892 1.562960 0.641463
H 2.133510 3.242425 1.167774
H 2.247646 -2.603384 2.260534
H 3.398652 2.334880 3.001724
H 2.383789 3.199208 4.201323
H 3.201567 1.676982 4.653536
H -0.157101 2.206028 -3.277126
H -0.258310 3.884640 -2.649846
H 0.994597 1.594407 -1.410294
H -2.276020 3.476731 -1.432691
H -2.504687 2.892166 -3.107466
H -0.063364 -1.472181 -0.481511
H 4.047708 -1.775474 0.854665
H -0.094994 -3.316490 2.323234
H 4.830682 -0.917616 -1.360505
H -2.511356 2.032676 0.438012
H -2.477927 0.305822 -3.535329
H -2.972162 -1.953728 -2.540194
H -0.393397 -0.607762 -2.638772
H 4.185327 -0.124266 -3.500928


