%chk=000217947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217947

0 1
O 0.453170 2.716471 -0.003337
O 2.522557 -1.413304 -0.001503
N -2.239332 -1.133953 0.000335
N 0.224671 -1.401346 -0.000147
N 1.493007 0.672058 -0.002018
C -0.914172 0.750675 -0.001126
C -2.317548 1.289740 -0.000893
C -0.943886 -0.641629 -0.000117
C -3.208918 0.010999 0.000964
C 0.286079 1.514736 -0.002356
C 1.514335 -0.731090 -0.001139
C 0.193447 -2.881372 0.000920
C 2.824826 1.337267 -0.001580
H -2.504752 1.921406 0.886478
H -2.505689 1.919372 -0.889537
H -3.853221 -0.042647 0.900842
H -3.855291 -0.043908 -0.897352
H -2.521711 -2.093499 0.003458
H -0.306411 -3.267327 -0.902136
H -0.304544 -3.266097 0.905515
H 1.235184 -3.274692 0.000102
H 3.408244 1.040315 -0.888981
H 3.395796 1.063665 0.901240
H 2.686960 2.436659 -0.016531


%chk=000217947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217947

0 1
O 0.451104 2.779084 -0.003513
O 2.573147 -1.436945 0.000923
N -2.202774 -1.119821 0.000216
N 0.224945 -1.381519 0.000021
N 1.506346 0.650473 -0.001796
C -0.909956 0.780839 -0.001300
C -2.338176 1.298888 -0.001471
C -0.921145 -0.608983 -0.000235
C -3.205517 -0.016368 0.000779
C 0.313360 1.515394 -0.002465
C 1.511844 -0.744946 -0.000657
C 0.173919 -2.852837 0.001214
C 2.831111 1.307475 -0.001942
H -2.548865 1.923027 0.885006
H -2.549491 1.920366 -0.889678
H -3.848640 -0.083361 0.897623
H -3.851235 -0.084813 -0.894050
H -2.446419 -2.106508 0.003278
H -0.337941 -3.231770 -0.902853
H -0.336614 -3.230500 0.906580
H 1.214385 -3.211322 0.000786
H 3.409090 1.004437 -0.890982
H 3.402477 1.019912 0.896639
H 2.647846 2.392296 -0.011023


