%chk=000179193.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179193

0 1
O -3.866689 -1.539285 0.987786
O 2.989258 -0.317124 -0.264108
N -2.639732 0.185302 0.096353
C -3.782613 0.869465 -0.609546
C -3.205227 2.115209 -1.306783
C -4.384204 -0.093475 -1.643825
C -4.836678 1.275744 0.430480
C -2.789596 -0.988586 0.826952
C -1.513099 -1.529170 1.465022
C -0.378319 -1.672852 0.495621
C 0.745422 -0.839658 0.603831
C -0.444102 -2.641507 -0.516956
C 1.785018 -1.013109 -0.314390
C 0.615076 -2.790764 -1.419455
C 1.744096 -1.977045 -1.334635
C 3.037935 0.954783 0.314856
C 2.061310 1.930507 0.088703
C 4.206758 1.206448 1.047655
C 2.271827 3.204611 0.624318
C 4.392376 2.488784 1.565498
C 3.428102 3.484267 1.359991
H -1.710934 0.573874 -0.047443
H -2.448960 1.857478 -2.055836
H -3.998943 2.659928 -1.832550
H -2.757146 2.816429 -0.595042
H -4.778435 -0.996967 -1.149794
H -3.644400 -0.424396 -2.378580
H -5.214080 0.368101 -2.185986
H -4.425835 1.940778 1.195564
H -5.685493 1.782458 -0.036853
H -5.231542 0.387124 0.951033
H -1.753765 -2.521288 1.917548
H -1.241795 -0.890239 2.331880
H 0.820585 -0.100034 1.396352
H -1.321818 -3.281079 -0.599941
H 0.556151 -3.550568 -2.200233
H 2.579479 -2.076603 -2.023389
H 1.176203 1.707118 -0.500137
H 4.939953 0.415773 1.192171
H 1.529316 3.985627 0.461432
H 5.293288 2.714458 2.136511
H 3.581954 4.479482 1.772126


%chk=000179193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179193

0 1
O -3.570955 -0.748734 1.857735
O 2.947343 -0.108632 -0.214214
N -2.623927 -0.241126 -0.220894
C -3.625777 0.767891 -0.691887
C -3.155835 1.230974 -2.091700
C -5.027528 0.109932 -0.787916
C -3.658882 1.970314 0.288098
C -2.663213 -0.907825 0.982991
C -1.517120 -1.928457 1.230682
C -0.344521 -1.883246 0.267342
C 0.727027 -0.981954 0.497635
C -0.309763 -2.716895 -0.881624
C 1.803804 -0.918075 -0.415161
C 0.780312 -2.651303 -1.780797
C 1.842112 -1.750558 -1.556836
C 2.875658 1.116959 0.499663
C 1.797506 2.022331 0.360990
C 4.004277 1.440772 1.283257
C 1.855363 3.262891 1.034399
C 4.050008 2.686828 1.946095
C 2.976008 3.600417 1.829115
H -1.839887 -0.452426 -0.844643
H -3.122067 0.383757 -2.802615
H -3.856683 1.982720 -2.493256
H -2.151569 1.693855 -2.045008
H -5.337461 -0.268979 0.199576
H -5.015153 -0.731514 -1.504464
H -5.769795 0.852314 -1.133735
H -2.666694 2.455151 0.344742
H -4.394261 2.719107 -0.058505
H -3.944816 1.631457 1.297106
H -1.993906 -2.926588 1.221633
H -1.188413 -1.752267 2.270311
H 0.722687 -0.348439 1.391190
H -1.127971 -3.423642 -1.061741
H 0.804556 -3.305356 -2.659156
H 2.697955 -1.685124 -2.234828
H 0.937902 1.769479 -0.267743
H 4.823225 0.719191 1.357846
H 1.024259 3.969126 0.929773
H 4.923897 2.941258 2.555664
H 3.012999 4.564412 2.347081


