%chk=000212047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212047

0 1
O 2.180215 -1.237456 -0.255510
O 0.339349 -2.256028 1.031551
O 0.950720 0.056198 -1.645945
O -3.241551 2.336102 -0.604616
O -4.282291 1.911356 1.649109
N 5.028361 1.121336 -0.227697
N -1.622504 -4.803879 -1.475724
C -0.160925 -1.576179 -0.125096
C 3.593794 0.739634 -0.057505
C -1.248357 -0.647708 0.387191
C 3.434928 -0.635666 -0.718805
C -0.710514 -2.583654 -1.117721
C 5.191719 2.539932 -0.657575
C 5.836740 0.770269 0.986442
C 1.003863 -0.786547 -0.782857
C -1.691311 0.424871 -0.419486
C -1.818509 -0.878163 1.633363
C 4.711474 3.605958 0.330097
C 7.323749 0.727023 0.632715
C -0.889402 -2.279377 -2.472748
C -2.701281 1.250619 0.046067
C -1.101932 -3.858251 -0.656629
C -2.848171 -0.046371 2.113816
C -3.294079 1.011020 1.333203
C -1.428657 -3.246980 -3.324104
C -1.781015 -4.497293 -2.790914
C -2.686972 2.667663 -1.902085
C -4.947179 1.740461 2.925739
H 3.258657 0.695243 1.000857
H 2.915428 1.467361 -0.557743
H 3.423659 -0.579357 -1.819559
H 4.171463 -1.381500 -0.371131
H 6.272008 2.692706 -0.881215
H 4.657722 2.653931 -1.628295
H 5.666163 1.471407 1.832388
H 5.516050 -0.236044 1.337764
H -1.225168 0.599538 -1.390487
H -1.465255 -1.705870 2.253840
H 4.867238 4.612446 -0.074055
H 5.251230 3.550956 1.282254
H 3.643540 3.508269 0.553646
H 7.905847 0.276109 1.443163
H 7.730420 1.727159 0.445896
H 7.496479 0.133674 -0.275384
H -0.609467 -1.296426 -2.863490
H 1.195690 -2.713114 0.835105
H -0.996902 -4.127356 0.404675
H -3.277629 -0.247754 3.090905
H -1.575634 -3.035553 -4.380688
H -2.206296 -5.288144 -3.419963
H -1.621628 2.901420 -1.816419
H -2.871032 1.857161 -2.612561
H -3.267300 3.561864 -2.164585
H -5.668071 2.568833 2.907850
H -4.234387 1.858741 3.746382
H -5.460282 0.775511 2.963076


%chk=000212047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212047

0 1
O 2.191460 -1.313107 -0.115417
O 0.199393 -2.476546 0.997529
O 0.966136 0.061359 -1.541433
O -3.652308 1.981017 -0.905867
O -4.277514 2.049970 1.666975
N 5.043334 1.173729 -0.032141
N -1.970174 -4.642009 -1.766731
C -0.208859 -1.647450 -0.137063
C 3.679934 0.672574 0.246583
C -1.289939 -0.663685 0.369238
C 3.466022 -0.638351 -0.536601
C -0.767260 -2.559726 -1.262647
C 5.119100 2.612296 -0.389966
C 6.055154 0.686808 0.939159
C 1.008242 -0.846960 -0.683220
C -1.961982 0.193512 -0.540375
C -1.615245 -0.617897 1.736778
C 4.855084 3.615779 0.764950
C 7.504309 0.857303 0.448499
C -0.723849 -2.242795 -2.641653
C -2.945947 1.093077 -0.085824
C -1.402341 -3.772673 -0.881757
C -2.610549 0.274949 2.201012
C -3.282488 1.134685 1.307276
C -1.302822 -3.137451 -3.570222
C -1.914756 -4.316880 -3.093610
C -3.333396 1.965170 -2.334751
C -4.657178 2.097647 3.080222
H 3.500475 0.486356 1.329764
H 2.929927 1.411465 -0.085979
H 3.423968 -0.442398 -1.620706
H 4.245634 -1.381078 -0.308054
H 6.116117 2.807806 -0.825760
H 4.388811 2.787216 -1.202315
H 5.940624 1.173553 1.940189
H 5.863101 -0.391790 1.099599
H -1.703865 0.164205 -1.601257
H -1.096698 -1.285721 2.427254
H 4.901340 4.653615 0.385886
H 5.606254 3.518451 1.569870
H 3.854172 3.463265 1.209575
H 8.203403 0.372791 1.154394
H 7.794851 1.920466 0.372518
H 7.629509 0.393130 -0.545824
H -0.241552 -1.323022 -2.989084
H 1.174581 -2.645741 0.912232
H -1.443447 -4.052389 0.174673
H -2.855053 0.289442 3.267197
H -1.278469 -2.924355 -4.643775
H -2.377763 -5.033435 -3.781767
H -2.272167 2.226888 -2.514799
H -3.553049 0.977564 -2.786261
H -3.986569 2.730122 -2.779585
H -5.446079 2.861840 3.136321
H -3.802125 2.394850 3.718913
H -5.054687 1.122666 3.424337


