%chk=000196727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196727

0 1
O 2.264994 2.240322 0.597571
O 3.214484 -0.338325 -0.165167
O -0.998416 -3.000692 -0.386488
O -2.590238 -1.598669 -0.769984
N -1.432748 -1.861200 -0.476750
N -3.187300 0.880827 -0.645990
N -3.967628 0.899546 -1.465499
C -0.903311 0.536155 0.137961
C -0.496257 -0.759513 -0.232592
C 1.451682 1.188560 0.305182
C 0.094915 1.496247 0.407789
C 1.847874 -0.136302 -0.082358
C 0.880354 -1.086400 -0.340285
C -2.291495 0.961386 0.310775
C -2.715599 1.545537 1.625381
C 3.705386 2.055576 0.516351
C 3.665564 -1.677466 -0.491572
H -0.193729 2.510362 0.696334
H 1.146710 -2.111516 -0.621006
H -3.663124 1.113377 1.978203
H -2.832949 2.636577 1.568204
H -1.967241 1.333256 2.404000
H 3.991292 1.785484 -0.506111
H 4.024969 1.290373 1.231995
H 4.070869 3.051776 0.792705
H 3.328252 -1.959255 -1.493518
H 3.331911 -2.390303 0.268772
H 4.755979 -1.553925 -0.463999


%chk=000196727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196727

0 1
O 2.246151 2.113437 0.965595
O 3.254176 -0.393293 -0.214379
O -0.850876 -3.040066 -1.123377
O -2.560304 -2.021523 -0.008774
N -1.348530 -2.023965 -0.480982
N -3.343882 0.377547 -0.277915
N -4.290659 0.002910 -0.879048
C -0.957243 0.393084 0.287190
C -0.487787 -0.869455 -0.222572
C 1.446451 1.068236 0.518736
C 0.068020 1.311329 0.661284
C 1.875238 -0.178869 -0.058289
C 0.897285 -1.114530 -0.412258
C -2.332102 0.875089 0.428324
C -2.682727 2.112746 1.248828
C 3.717285 2.123198 0.830286
C 3.669582 -1.673296 -0.801123
H -0.194964 2.292652 1.061178
H 1.162016 -2.092029 -0.821155
H -3.774268 2.192049 1.383502
H -2.333917 3.048209 0.769679
H -2.224803 2.046400 2.251423
H 4.017867 2.052792 -0.227487
H 4.172584 1.297137 1.398712
H 4.011728 3.095684 1.253233
H 3.255318 -1.797077 -1.819686
H 3.356456 -2.522933 -0.165179
H 4.767107 -1.623669 -0.845841


