%chk=000297047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297047

0 1
O 2.986612 0.224114 1.365424
N 1.397955 -1.013930 0.190880
N 3.174951 0.281868 -0.940391
C -1.389641 0.421684 -0.208142
C -2.338324 -0.798939 -0.102316
C -0.304751 0.163252 -1.267498
C -1.539262 -2.068570 0.246912
C -2.190988 1.691650 -0.556129
C -3.429540 -0.536999 0.953650
C 0.495571 -1.126215 -1.000593
C -0.433261 -2.336307 -0.779566
C -3.290573 1.949513 0.482668
C -4.220280 0.736171 0.623479
C 2.490967 -0.153618 0.091583
C 4.216091 0.985179 1.117788
C 4.343279 1.040473 -0.427895
H -0.897814 0.579207 0.781456
H -2.832013 -0.950332 -1.092395
H -0.765633 0.091346 -2.271825
H 0.386498 1.027300 -1.327731
H -2.220057 -2.940158 0.290685
H -1.105832 -1.981765 1.260917
H -2.641524 1.593760 -1.561811
H -1.512453 2.562899 -0.610177
H 1.159001 -1.326949 -1.888401
H -2.973828 -0.443918 1.957424
H -4.116320 -1.401397 1.009674
H 0.165203 -3.216095 -0.467928
H -0.884977 -2.609118 -1.753907
H -3.876649 2.842291 0.195538
H -2.833132 2.186507 1.462455
H -4.972124 0.926682 1.411714
H -4.790294 0.590961 -0.314288
H 0.913956 -0.977425 1.094194
H 5.017861 0.422425 1.615777
H 4.055629 1.961494 1.594786
H 4.316103 2.075977 -0.821882
H 5.279192 0.571782 -0.793932


%chk=000297047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297047

0 1
O 3.181202 -0.092880 1.402974
N 1.372827 -0.945884 0.186485
N 2.948577 0.558942 -0.846972
C -1.399803 0.426449 -0.278250
C -2.339035 -0.795879 -0.070887
C -0.317832 0.117968 -1.337717
C -1.522207 -2.057185 0.299211
C -2.212355 1.691249 -0.644190
C -3.432652 -0.484730 0.980356
C 0.509247 -1.149904 -0.999195
C -0.421902 -2.360441 -0.748247
C -3.304286 1.999539 0.407103
C -4.238851 0.783363 0.615117
C 2.477598 -0.141455 0.157549
C 4.333143 0.829287 1.155045
C 4.185641 1.238970 -0.355545
H -0.887055 0.620845 0.691092
H -2.845536 -0.991058 -1.044808
H -0.803575 -0.042334 -2.323363
H 0.374867 0.971919 -1.454769
H -2.196959 -2.931494 0.389346
H -1.074113 -1.911812 1.306142
H -2.691095 1.538824 -1.635291
H -1.527391 2.555705 -0.752268
H 1.179078 -1.364908 -1.855008
H -2.948703 -0.337526 1.969677
H -4.111812 -1.355190 1.084982
H 0.178401 -3.242050 -0.448356
H -0.906767 -2.615016 -1.710863
H -3.893216 2.886246 0.100927
H -2.819510 2.254561 1.372650
H -4.984621 1.002200 1.404317
H -4.807070 0.597516 -0.320145
H 1.149437 -1.405395 1.067590
H 5.258464 0.269820 1.371090
H 4.234223 1.678906 1.851552
H 4.086276 2.333875 -0.473290
H 5.056964 0.913760 -0.953844


