%chk=000203408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203408

0 1
O -0.289467 0.052820 -1.953368
N 3.133242 0.511049 0.487310
C 0.715515 0.820113 0.034165
C -0.556002 0.113802 -0.535098
C 1.982286 0.008096 -0.335119
C 0.824332 2.248134 -0.503375
C -0.708578 -1.309552 0.005543
C -1.854563 0.879859 -0.279658
C 4.433706 0.450384 -0.281665
C 3.203762 -0.247029 1.773096
C -1.105247 -1.530289 1.331768
C -2.052223 1.600851 0.906675
C -0.434015 -2.407791 -0.821856
C -2.884685 0.837778 -1.231062
C 5.613106 0.852621 0.617744
C 4.345551 1.421210 -1.471359
C -1.236437 -2.833896 1.819069
C -3.258095 2.270682 1.133169
C -0.568214 -3.710064 -0.333793
C -4.089098 1.508053 -1.005091
C -0.971167 -3.926321 0.987633
C -4.279248 2.226409 0.179367
H 0.619257 0.852235 1.147272
H 1.804587 -1.079043 -0.197211
H 2.180475 0.144626 -1.423512
H 1.780869 2.694689 -0.196663
H 0.786963 2.258088 -1.600494
H 0.020215 2.893916 -0.140299
H 4.621523 -0.585051 -0.671900
H -1.090483 -0.216363 -2.453907
H 2.201827 -0.300218 2.227794
H 3.841837 0.309267 2.477953
H 3.590717 -1.272308 1.681116
H -1.320904 -0.689067 1.988924
H -1.263036 1.651602 1.657189
H -0.100138 -2.240788 -1.847649
H -2.742702 0.280355 -2.158597
H 6.517871 1.018706 0.023659
H 5.398372 1.785172 1.155217
H 5.846988 0.084831 1.360758
H 3.519780 1.160477 -2.146949
H 5.270736 1.420678 -2.053334
H 4.160153 2.446386 -1.126913
H -1.548423 -2.997500 2.849129
H -3.400371 2.830254 2.056476
H -0.355833 -4.556954 -0.983918
H -4.880036 1.469571 -1.752335
H -1.076825 -4.940283 1.367670
H -5.216982 2.748701 0.357328


%chk=000203408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203408

0 1
O -0.327791 0.103113 -2.061691
N 3.152535 0.520304 0.460224
C 0.701128 0.853382 -0.031665
C -0.577158 0.141039 -0.600904
C 1.991676 0.044587 -0.347845
C 0.856770 2.297861 -0.557605
C -0.714776 -1.306134 -0.050782
C -1.892825 0.906347 -0.295873
C 4.455715 0.451407 -0.281262
C 3.165866 -0.159521 1.775975
C -1.181136 -1.537489 1.269367
C -2.041216 1.735407 0.845295
C -0.363306 -2.423524 -0.849544
C -3.024321 0.724790 -1.132456
C 5.660331 0.702138 0.653615
C 4.491205 1.496451 -1.421353
C -1.288083 -2.850151 1.778548
C -3.268445 2.374578 1.129898
C -0.483791 -3.739209 -0.346555
C -4.252934 1.362489 -0.855830
C -0.944370 -3.959210 0.971005
C -4.381583 2.194671 0.279321
H 0.590995 0.875301 1.071911
H 1.817009 -1.041034 -0.172894
H 2.207779 0.158760 -1.422231
H 1.823918 2.694498 -0.203203
H 0.848175 2.298830 -1.661488
H 0.052068 2.968463 -0.212137
H 4.584381 -0.569105 -0.731845
H -1.117514 -0.278596 -2.521029
H 2.156844 -0.103536 2.221747
H 3.860720 0.337569 2.471935
H 3.441506 -1.242940 1.711802
H -1.481693 -0.692429 1.898226
H -1.193949 1.896829 1.519350
H 0.023645 -2.254394 -1.859804
H -2.972443 0.069853 -2.012053
H 6.585580 0.758887 0.052261
H 5.537295 1.663959 1.186043
H 5.796782 -0.099516 1.399895
H 3.643394 1.396491 -2.120068
H 5.423760 1.387112 -2.005668
H 4.459144 2.515051 -0.993454
H -1.650550 -3.007905 2.800863
H -3.352081 3.015159 2.015201
H -0.209126 -4.590014 -0.980858
H -5.108963 1.205102 -1.521702
H -1.035863 -4.978373 1.363120
H -5.333408 2.691551 0.497096


