%chk=000215171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215171

0 1
O 0.458313 0.339185 -0.511301
O 0.305160 2.845877 0.493747
N -3.149557 1.738561 -0.585950
C -3.966483 2.978862 -0.741258
C -4.154404 0.724637 -0.152066
C -4.997404 2.974447 0.440681
C -5.156955 1.460951 0.806374
C -1.991632 1.905571 0.334525
C -0.747378 2.408232 -0.438736
C -0.188357 1.336062 -1.387469
C 1.200135 -0.719324 -1.217659
C 1.297859 -1.913444 -0.239505
C 2.593049 -0.218616 -1.716789
C -0.043605 -2.581232 0.024809
C 3.556288 0.206719 -0.618556
C -0.890271 -2.141091 1.089606
C 3.477672 1.513696 -0.044933
C -0.495526 -3.655615 -0.802719
C 4.553860 -0.691041 -0.128902
C -2.157536 -2.756215 1.320151
C 4.365562 1.907836 0.999148
C -1.763042 -4.273432 -0.579763
C 5.445976 -0.301077 0.913687
C -2.599686 -3.824300 0.484884
C 5.351995 1.000975 1.484132
H -3.323133 3.875443 -0.752317
H -4.500269 2.931633 -1.710035
H -4.696868 0.365443 -1.048323
H -3.655939 -0.144576 0.308412
H -5.953942 3.441331 0.147038
H -4.601340 3.543906 1.300534
H -4.896013 1.284179 1.864912
H -6.191809 1.105557 0.655384
H -2.183842 2.620432 1.166530
H -1.749705 0.924391 0.781533
H -1.015261 3.307267 -1.022070
H -1.015143 0.873977 -1.962056
H 0.555922 1.783562 -2.077738
H 0.610608 -1.025560 -2.111295
H 2.006227 -2.645547 -0.672968
H 1.746981 -1.545630 0.700955
H 3.034887 -1.039764 -2.314593
H 2.421677 0.622662 -2.415927
H 0.771366 2.015748 0.785320
H -0.552832 -1.319799 1.732260
H 2.732166 2.226359 -0.416790
H 0.146717 -4.016352 -1.617083
H 4.638111 -1.693709 -0.567581
H -2.789319 -2.411564 2.147619
H 4.288231 2.914903 1.424939
H -2.089881 -5.098891 -1.222840
H 6.207231 -1.003502 1.272520
H -3.570838 -4.300278 0.662997
H 6.037078 1.304655 2.283922


%chk=000215171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215171

0 1
O 0.470327 0.352078 -0.505435
O 0.313631 2.854859 0.515719
N -3.130232 1.733326 -0.589228
C -3.964290 2.965317 -0.737626
C -4.116027 0.695211 -0.170092
C -5.113291 2.878213 0.338844
C -5.062873 1.401916 0.849643
C -1.978903 1.904232 0.339440
C -0.733740 2.419796 -0.424282
C -0.166419 1.357552 -1.378706
C 1.200366 -0.713264 -1.212501
C 1.284965 -1.907012 -0.232704
C 2.597951 -0.227427 -1.712996
C -0.065706 -2.551706 0.036641
C 3.563467 0.192719 -0.615990
C -0.865263 -2.143829 1.134597
C 3.491408 1.491273 -0.045046
C -0.566309 -3.563984 -0.823070
C 4.550730 -0.703901 -0.130549
C -2.130475 -2.729560 1.367583
C 4.374245 1.876686 0.988842
C -1.831872 -4.151110 -0.596921
C 5.437049 -0.321248 0.902039
C -2.619712 -3.735378 0.501411
C 5.349653 0.971443 1.468330
H -3.339952 3.868157 -0.620765
H -4.399689 2.985102 -1.754543
H -4.694742 0.381091 -1.061475
H -3.602383 -0.194457 0.230492
H -6.090853 3.114882 -0.117886
H -4.952888 3.594159 1.163635
H -4.624051 1.357892 1.863327
H -6.062073 0.933764 0.893514
H -2.181104 2.614305 1.172880
H -1.732555 0.922508 0.783489
H -1.003717 3.322533 -1.000926
H -0.988137 0.902364 -1.965988
H 0.585026 1.811537 -2.056933
H 0.606867 -1.013780 -2.105479
H 1.981260 -2.650540 -0.666478
H 1.741301 -1.544121 0.705973
H 3.032952 -1.054400 -2.307718
H 2.434505 0.613039 -2.414893
H 0.778715 2.024006 0.807732
H -0.489429 -1.362876 1.805688
H 2.748386 2.207480 -0.414866
H 0.043098 -3.902146 -1.671520
H 4.630379 -1.706885 -0.569180
H -2.730786 -2.407637 2.226732
H 4.301993 2.883663 1.415419
H -2.199158 -4.934880 -1.269447
H 6.195373 -1.027049 1.260112
H -3.598742 -4.193112 0.683158
H 6.036826 1.271698 2.267400


