%chk=000182372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182372

0 1
O 0.024322 -2.785645 -1.166487
O 3.860965 0.120455 0.869995
O 1.686016 -2.907482 0.364548
O 3.873730 -0.574106 -1.294058
N -0.014154 1.332874 -0.158027
N 1.347728 1.439507 -0.200604
C -0.432788 -0.012168 -0.176305
C 0.744876 -0.775271 -0.241986
C -1.829029 -0.438414 -0.082623
C 1.827017 0.170522 -0.248969
C -0.828563 2.529137 -0.119308
C 0.906653 -2.230171 -0.263616
C -2.362151 -1.294614 -1.058930
C -2.628441 -0.010820 0.991849
C -1.999087 2.593128 -0.892753
C -0.422651 3.608259 0.682819
C 3.278273 -0.141983 -0.338118
C -3.692774 -1.711002 -0.964517
C -3.955884 -0.433787 1.078778
C -2.778435 3.750627 -0.839100
C -1.214673 4.758302 0.716251
C -4.489766 -1.280745 0.100430
C -2.390805 4.830034 -0.037460
C 0.012703 -4.244805 -1.290297
C 5.296468 -0.150945 1.005464
C -0.830748 -4.834131 -0.179293
C 6.093959 0.934864 0.316239
H -1.725807 -1.647083 -1.877514
H -2.211359 0.644211 1.756903
H -2.297222 1.757131 -1.527011
H 0.503916 3.551733 1.259143
H -4.106454 -2.374823 -1.722626
H -4.576040 -0.105665 1.912004
H -3.691659 3.811948 -1.431662
H -0.909492 5.603782 1.333654
H -5.526604 -1.607339 0.171851
H -3.003952 5.730063 -0.004250
H 1.055417 -4.611342 -1.277352
H -0.433725 -4.365921 -2.293411
H 5.500956 -1.158211 0.600824
H 5.396546 -0.140041 2.106618
H -1.801192 -4.326664 -0.099041
H -0.331805 -4.729655 0.796026
H -1.018903 -5.901769 -0.339538
H 5.761098 1.935371 0.622924
H 5.979514 0.879156 -0.777523
H 7.163510 0.852498 0.540660


%chk=000182372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182372

0 1
O 0.114641 -2.941988 -1.152904
O 3.949930 0.586713 0.923767
O 1.438360 -3.022185 0.769436
O 3.718986 -1.268069 -0.483580
N -0.044279 1.230042 0.089051
N 1.337558 1.317381 0.245411
C -0.483679 -0.089852 -0.110476
C 0.685658 -0.880878 -0.090768
C -1.914691 -0.474351 -0.134460
C 1.771548 0.028719 0.145168
C -0.791919 2.461908 0.086349
C 0.800742 -2.360356 -0.081782
C -2.444914 -1.257102 -1.193219
C -2.775512 -0.064216 0.921027
C -1.897010 2.639264 -0.778959
C -0.362716 3.509845 0.934817
C 3.218782 -0.304086 0.145249
C -3.811375 -1.613812 -1.199192
C -4.138392 -0.425886 0.913321
C -2.591729 3.867757 -0.768998
C -1.061569 4.735052 0.929590
C -4.662890 -1.199427 -0.149072
C -2.181447 4.917668 0.084561
C 0.155518 -4.438247 -1.219658
C 5.433697 0.390439 0.922845
C -0.928685 -5.056941 -0.332410
C 6.070828 1.101541 -0.274432
H -1.781320 -1.584486 -1.998049
H -2.372951 0.528199 1.749939
H -2.204149 1.839094 -1.457427
H 0.514631 3.356322 1.568709
H -4.210366 -2.212873 -2.025204
H -4.788673 -0.107927 1.735376
H -3.447283 4.005719 -1.438640
H -0.730084 5.546744 1.585975
H -5.722623 -1.477763 -0.155842
H -2.722750 5.869801 0.085439
H 1.163811 -4.769988 -0.916635
H -0.009005 -4.649598 -2.288444
H 5.645085 -0.693264 0.908716
H 5.748656 0.829417 1.882708
H -1.925284 -4.658096 -0.589903
H -0.727016 -4.852033 0.731994
H -0.944609 -6.153548 -0.475741
H 5.795823 2.170130 -0.287905
H 5.749812 0.637734 -1.222084
H 7.172356 1.026482 -0.209065


