%chk=000271935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271935

0 1
O -1.107063 -0.934934 -0.476688
O -3.436149 2.541983 -0.148370
O -3.006436 0.293625 1.420215
O -2.976877 -3.484966 -0.628056
O 0.012249 0.559339 1.779844
O 4.428935 -0.505153 1.393786
N 0.826976 0.222210 -0.378195
N -0.813094 2.589253 -1.632682
N 2.231906 0.017321 1.567242
C -1.277457 1.583182 -0.636679
C -2.812930 1.400330 -0.724037
C -0.526085 0.273724 -1.008701
C -3.258493 0.125083 0.031268
C -2.541324 -1.100960 -0.557340
C -2.779106 -2.384053 0.259129
C 1.938554 -0.103830 -1.187558
C 0.945450 0.268559 1.048452
C 3.169579 -0.332252 -0.666802
C 3.402338 -0.301744 0.786666
C 4.351840 -0.623324 -1.525206
H -1.035379 1.879954 0.422845
H -3.176261 1.409240 -1.778096
H -0.439111 0.153379 -2.118021
H -4.370084 0.013859 -0.007645
H -2.812497 -1.253777 -1.627168
H -3.723852 -2.341030 0.837056
H -1.932787 -2.580310 0.945401
H -0.054090 3.145407 -1.245899
H -1.564767 3.239013 -1.865995
H -3.441130 2.462776 0.844615
H -2.022486 0.210590 1.614396
H 1.748471 -0.135663 -2.269267
H 2.332534 0.055278 2.594191
H -2.123362 -3.756913 -1.029078
H 4.175063 -1.476704 -2.194485
H 5.240969 -0.873346 -0.918566
H 4.626557 0.242854 -2.144572


%chk=000271935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271935

0 1
O -1.215803 -1.083547 -0.408878
O -3.374260 2.632279 -0.205118
O -2.910440 0.349310 1.515422
O -2.503377 -3.570004 -0.452723
O -0.053170 0.253890 1.842136
O 4.547907 -0.286012 1.327520
N 0.805770 0.060475 -0.360087
N -0.776942 2.451732 -1.677869
N 2.235390 -0.022820 1.511173
C -1.239780 1.490286 -0.657485
C -2.783881 1.390708 -0.712478
C -0.555322 0.110342 -0.944601
C -3.271398 0.176311 0.104335
C -2.699225 -1.108103 -0.517886
C -3.112551 -2.403216 0.189312
C 1.925429 -0.133536 -1.182725
C 0.924013 0.103802 1.048567
C 3.209757 -0.251214 -0.708886
C 3.430841 -0.193403 0.745325
C 4.410168 -0.446149 -1.600243
H -0.984504 1.801364 0.375539
H -3.122234 1.317787 -1.762545
H -0.449145 0.034022 -2.045416
H -4.375318 0.146473 0.089949
H -2.979924 -1.163442 -1.592327
H -4.201828 -2.548772 0.097598
H -2.845496 -2.336608 1.262528
H 0.158838 2.829879 -1.491234
H -1.454405 3.213938 -1.805944
H -3.348121 2.564079 0.788636
H -1.921275 0.208481 1.643462
H 1.704498 -0.178818 -2.252490
H 2.348375 0.007050 2.530310
H -1.522156 -3.424686 -0.451844
H 4.123690 -0.472267 -2.665321
H 4.932246 -1.387361 -1.350412
H 5.144232 0.365748 -1.449295


