%chk=000191599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191599

0 1
O 1.503069 0.396684 -1.128047
O 3.311145 2.398485 0.830601
O 1.720664 -3.086779 -0.389569
O -1.943052 2.181647 0.360748
N -0.732948 0.342508 -0.310687
N -2.992966 0.129502 0.613783
N -3.948749 -1.979133 0.891908
C 2.536443 0.378469 -0.097679
C 2.185565 1.512142 0.900428
C 0.903456 2.160763 0.361557
C 0.401067 1.231686 -0.752366
C 2.575610 -1.004358 0.548482
C 2.769790 -2.112775 -0.494380
C -0.672070 -1.025754 -0.501405
C -1.959124 0.973455 0.257558
C -1.724393 -1.829782 -0.133898
C -2.887529 -1.214694 0.443132
H 3.468334 0.614032 -0.663237
H 2.083129 1.169251 1.950068
H 0.140370 2.335033 1.147781
H 1.112817 3.166969 -0.054617
H 0.096644 1.748556 -1.693323
H 1.630819 -1.193064 1.102437
H 3.381633 -1.031585 1.307660
H 2.642230 -1.741643 -1.533637
H 3.746486 -2.614729 -0.397404
H 3.145743 3.214712 1.343603
H 0.246237 -1.452679 -0.951966
H -1.670669 -2.902752 -0.276888
H 1.785185 -3.579578 0.451249
H -4.028413 -2.944753 0.629055
H -4.790123 -1.519335 1.214350


%chk=000191599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191599

0 1
O 1.271340 0.019805 -1.074048
O 3.036324 1.816650 1.550965
O 3.900910 -3.375286 -0.400897
O -2.072171 2.407965 -0.460661
N -0.995507 0.336799 -0.291136
N -3.351923 0.561919 0.252699
N -4.578216 -1.287424 0.931191
C 2.424509 0.183618 -0.127978
C 1.889513 1.093282 0.997063
C 0.858984 1.981201 0.264111
C 0.247961 1.028053 -0.786547
C 2.924466 -1.191987 0.316516
C 3.468039 -2.041878 -0.847286
C -1.043951 -1.015400 -0.049604
C -2.187734 1.178983 -0.172760
C -2.217008 -1.619821 0.365719
C -3.374600 -0.764965 0.513933
H 3.223577 0.737538 -0.662344
H 1.395465 0.484645 1.784369
H 0.087769 2.427857 0.908302
H 1.398209 2.793403 -0.256072
H -0.032279 1.549815 -1.715240
H 2.110025 -1.747548 0.820327
H 3.723120 -1.023104 1.068626
H 2.673472 -2.239507 -1.583758
H 4.294125 -1.504788 -1.362276
H 2.732986 2.391921 2.296941
H -0.118247 -1.566109 -0.230936
H -2.254004 -2.694900 0.551145
H 4.663361 -3.274637 0.223689
H -4.691689 -2.274279 1.144423
H -5.370424 -0.651320 1.006821


