%chk=000235795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235795

0 1
O -0.161714 2.005270 -2.143441
O 0.800179 3.086754 0.968263
O -1.704075 2.482298 -0.692425
O 0.440566 1.421078 2.313010
O 2.118963 -2.700407 1.073245
O -3.027129 -2.659391 -0.847283
O 1.142624 -2.363514 -0.917787
O -1.737661 -2.758079 0.984575
N -0.676013 1.953493 -1.049666
N 0.453359 1.956804 1.226878
C 0.040678 1.057477 0.016835
C 1.344877 0.503126 -0.580352
C -0.975159 0.013205 0.497053
C 2.087839 -0.471273 0.329196
C -1.476813 -0.908687 -0.612622
C 1.709619 -1.898415 0.045529
C -2.040143 -2.172565 -0.028077
H 1.114399 0.008508 -1.560281
H 2.014534 1.349125 -0.863062
H -0.518631 -0.591817 1.322499
H -1.842554 0.525762 0.978189
H 1.937436 -0.251238 1.414866
H 3.190757 -0.364330 0.188686
H -2.238144 -0.409381 -1.254198
H -0.651787 -1.207791 -1.314493
H 1.861163 -3.658792 0.946789
H -3.411668 -3.519821 -0.521928


%chk=000235795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235795

0 1
O -0.299479 1.993322 -2.181330
O 1.086214 2.965656 0.917081
O -1.713301 2.552271 -0.479859
O 0.128216 1.527456 2.406594
O 2.434522 -2.607684 1.236763
O -3.203222 -2.633493 -1.063089
O 1.211601 -2.427793 -0.727067
O -2.142740 -2.655554 1.002614
N -0.705999 1.929341 -0.970550
N 0.435584 1.903758 1.224739
C 0.049668 0.956535 0.017775
C 1.368839 0.490660 -0.624182
C -0.952042 -0.102811 0.492299
C 2.226677 -0.409613 0.292343
C -1.570580 -0.916791 -0.663920
C 1.878004 -1.886489 0.184037
C -2.305392 -2.128275 -0.119671
H 1.133673 -0.049001 -1.557006
H 1.937490 1.392486 -0.906386
H -0.449234 -0.784312 1.199388
H -1.748093 0.401988 1.066175
H 2.197758 -0.112508 1.355949
H 3.287857 -0.316550 -0.009375
H -2.270780 -0.319725 -1.273509
H -0.789807 -1.310611 -1.342578
H 2.211567 -3.573913 1.143086
H -3.641500 -3.450951 -0.700322


