%chk=000181641.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181641

0 1
O -1.894152 0.863982 -0.834542
O -4.906546 -0.455002 -0.986404
O -3.122627 -1.748319 -2.190264
O -2.034339 2.461631 1.487437
O 4.307758 0.096623 0.665395
O 3.008578 -3.852659 0.657417
N -0.371173 -0.861220 -0.172388
N 0.451320 1.342049 0.365052
N 2.324450 -1.831100 -0.163128
N 2.762322 1.765580 0.946646
N 1.155827 3.523496 1.046502
C -3.746272 -0.528003 -0.179893
C -2.666571 -1.409827 -0.880255
C -3.094023 0.865746 -0.013515
C -1.450775 -0.472275 -1.120145
C -2.707222 1.195865 1.433641
C 0.737977 -0.001700 0.075346
C 2.037807 -0.464701 0.173996
C 3.148553 0.430845 0.592455
C 1.520194 2.182529 0.814289
C 3.016090 -2.031175 -1.463220
C 2.592550 -2.734154 0.896762
H -4.120053 -0.961684 0.771974
H -2.430675 -2.330514 -0.309972
H -3.708054 1.672063 -0.475707
H -1.126410 -0.418314 -2.189738
H -1.943418 0.495921 1.835563
H -3.587094 1.215895 2.101867
H -0.073123 -1.847885 -0.306917
H -4.660998 -0.250655 -1.932096
H -3.852268 -2.414571 -2.132634
H -2.631774 3.182455 1.190011
H -0.512422 1.716961 0.228399
H 3.978036 -1.487016 -1.500273
H 2.378064 -1.682513 -2.286559
H 3.230419 -3.108173 -1.600257
H 2.298483 -2.384002 1.897447
H 0.241562 3.686372 1.456831
H 1.890301 4.097147 1.461177


%chk=000181641-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181641

0 1
O -1.950533 0.981698 -0.929528
O -4.740220 -1.064665 0.168730
O -3.621366 -1.174567 -2.208793
O -2.071800 2.763516 1.258779
O 4.314270 0.059705 0.733406
O 2.236686 -4.035859 0.690323
N -0.316853 -0.768179 -0.495936
N 0.486252 1.384150 0.189401
N 2.315599 -1.827886 -0.140916
N 2.724157 1.774499 0.998241
N 1.046265 3.423551 1.187315
C -3.330430 -0.742391 0.130807
C -2.621614 -1.302053 -1.147476
C -3.042742 0.791731 0.073346
C -1.438617 -0.327938 -1.350842
C -2.606366 1.395028 1.418939
C 0.754581 0.048368 -0.091595
C 2.036865 -0.443933 0.136949
C 3.112517 0.455642 0.627448
C 1.475442 2.172767 0.794255
C 3.232885 -2.154325 -1.258785
C 1.993037 -2.803561 0.805149
H -2.883301 -1.192551 1.032140
H -2.297964 -2.352463 -1.017023
H -3.923789 1.323191 -0.332782
H -1.147459 -0.194428 -2.412182
H -1.770752 0.823173 1.853589
H -3.459801 1.380422 2.126030
H -0.028421 -1.746039 -0.614194
H -5.054222 -1.076574 -0.778231
H -3.386925 -1.723435 -2.995071
H -2.783238 3.358302 0.911363
H -0.446809 1.762387 -0.035539
H 4.186499 -1.621497 -1.102508
H 2.790997 -1.852240 -2.225331
H 3.405122 -3.242823 -1.249113
H 1.465771 -2.363448 1.682453
H 0.047179 3.610376 1.297521
H 1.739401 4.022049 1.629959


