%chk=000221980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221980

0 1
O 4.695289 -1.306209 0.313960
O -0.520873 1.790229 0.732497
N 0.882259 0.534345 -0.548024
C -2.832073 0.343128 0.139247
C -3.963970 -0.608434 -0.262463
C -1.481671 -0.120110 -0.422951
C -5.311621 -0.137429 0.303016
C 2.080949 1.310100 -0.147034
C 3.142490 0.425034 0.513940
C -0.374261 0.824530 0.002886
C -6.448648 -1.077868 -0.089401
C 3.977044 -0.349971 -0.505478
C 5.659056 -2.081719 -0.418142
H -3.046228 1.373440 -0.211393
H -2.765205 0.425437 1.243779
H -4.027316 -0.682087 -1.365044
H -3.746545 -1.632729 0.096450
H -1.534057 -0.178224 -1.529066
H -1.258661 -1.147666 -0.070589
H -5.251266 -0.063235 1.406889
H -5.532778 0.887372 -0.055345
H 2.489866 1.822946 -1.046024
H 1.764768 2.117911 0.562056
H 3.811517 1.044486 1.145842
H 2.678016 -0.290089 1.227263
H 1.050912 -0.314314 -1.072555
H 4.695624 0.294322 -1.039283
H 3.360766 -0.901997 -1.234426
H -7.405238 -0.732712 0.319296
H -6.562194 -1.143415 -1.177338
H -6.280545 -2.093941 0.285073
H 6.083053 -2.730314 0.359291
H 6.432943 -1.436491 -0.843901
H 5.169400 -2.678627 -1.192527


%chk=000221980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221980

0 1
O 4.856289 -1.123511 0.238099
O -0.238012 1.060824 1.533892
N 0.886752 0.755871 -0.477124
C -2.736606 0.287159 0.159136
C -3.889774 -0.660554 -0.235672
C -1.345758 -0.275519 -0.213288
C -5.282204 -0.103288 0.139116
C 2.088146 1.495703 -0.046342
C 3.193842 0.596796 0.555515
C -0.203774 0.570875 0.363445
C -6.435763 -1.054682 -0.245418
C 3.795158 -0.386761 -0.452902
C 5.491130 -2.122944 -0.616663
H -2.878999 1.272555 -0.328655
H -2.749948 0.473917 1.249258
H -3.859106 -0.858648 -1.328224
H -3.744601 -1.642516 0.262589
H -1.249343 -0.378452 -1.312901
H -1.249328 -1.295136 0.213624
H -5.310924 0.095084 1.229639
H -5.428323 0.877494 -0.358048
H 2.479828 2.066685 -0.910627
H 1.756139 2.215315 0.721817
H 4.004984 1.242111 0.943298
H 2.783555 0.037228 1.414783
H 0.860967 0.345412 -1.411289
H 4.217115 0.156973 -1.331636
H 3.020785 -1.097101 -0.825143
H -7.418916 -0.631405 0.031161
H -6.445231 -1.247242 -1.335124
H -6.332313 -2.030416 0.266054
H 6.259464 -2.615023 0.000193
H 5.974717 -1.657496 -1.503032
H 4.760854 -2.883610 -0.969029


