%chk=000199297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199297

0 1
O -5.550855 -0.060912 -0.987480
O 2.947529 -1.565151 2.040289
O 0.182590 -0.431039 2.096051
N 4.767774 0.732079 0.125577
N 2.079386 0.263617 0.924888
N -0.037120 0.192439 -0.134104
C 4.492205 0.201552 1.496674
C 3.122867 -0.483927 1.531659
C -1.464301 0.093833 -0.266817
C 5.171230 -0.376070 -0.790757
C 5.825832 1.783934 0.176181
C -2.022189 0.490828 -1.504772
C -2.290390 -0.373129 0.766599
C 0.674633 -0.051477 1.059061
C -4.212614 -0.048353 -0.650561
C -3.394060 0.420329 -1.700304
C -3.672797 -0.444038 0.577587
C -6.489205 -0.531182 0.009193
H 5.250745 -0.526746 1.866061
H 4.481520 1.036444 2.234977
H 4.376127 -1.140012 -0.816008
H 6.113880 -0.878059 -0.525829
H 5.270351 0.025625 -1.812193
H 5.985808 2.176839 -0.841829
H 6.797095 1.447491 0.568332
H 5.473192 2.625533 0.794309
H 2.355372 1.059605 0.332725
H 0.472395 0.422354 -0.988100
H -1.384854 0.852858 -2.309728
H -1.860550 -0.686098 1.726541
H -3.851099 0.717907 -2.642246
H -4.301956 -0.806319 1.385657
H -6.285286 -1.575746 0.261535
H -7.445575 -0.434638 -0.521207
H -6.463681 0.115028 0.891239


%chk=000199297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199297

0 1
O -5.414349 0.152899 -1.116531
O 3.121393 -0.739318 3.199853
O 0.326836 -1.044914 2.109416
N 4.534781 0.540174 0.047157
N 2.190784 0.080538 1.163489
N 0.067674 0.428441 0.284699
C 4.577721 0.301785 1.513773
C 3.217887 -0.204985 2.069528
C -1.324260 0.299706 0.002169
C 4.781462 -0.704872 -0.726259
C 5.395956 1.659820 -0.403914
C -1.847265 1.076521 -1.069546
C -2.195688 -0.552125 0.725598
C 0.807607 -0.247454 1.265446
C -4.074667 0.149779 -0.690544
C -3.206103 1.005235 -1.413351
C -3.562856 -0.625972 0.377049
C -6.348699 -0.715131 -0.397513
H 5.355823 -0.428180 1.822461
H 4.800682 1.253092 2.032182
H 4.085939 -1.494894 -0.393552
H 5.822413 -1.083115 -0.602204
H 4.604150 -0.517433 -1.799706
H 5.234248 1.836276 -1.482126
H 6.482056 1.464466 -0.246312
H 5.125721 2.581646 0.139787
H 2.602366 0.521381 0.310142
H 0.563297 1.119549 -0.282591
H -1.185346 1.741560 -1.639863
H -1.800359 -1.143712 1.553107
H -3.615263 1.600023 -2.235232
H -4.212616 -1.292016 0.952466
H -6.056398 -1.780320 -0.481033
H -7.321535 -0.558837 -0.886472
H -6.419392 -0.434215 0.671625


