%chk=000233939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233939

0 1
O 5.241721 -2.775093 -0.000081
O -5.241899 -2.774824 0.000123
O 5.823531 -0.556517 -0.000294
O -5.823596 -0.556218 0.000187
N 3.574578 -1.288233 -0.000238
N -3.574680 -1.288049 0.000359
C 0.725421 1.141342 -0.000022
C -0.725399 1.141380 0.000091
C 1.439348 -0.088729 -0.000063
C -1.439389 -0.088654 0.000163
C 1.426745 2.379307 -0.000091
C -1.426659 2.379380 0.000125
C 2.859966 -0.049605 -0.000178
C -2.860005 -0.049458 0.000263
C 0.677538 -1.321698 0.000022
C -0.677642 -1.321663 0.000135
C 0.677167 3.621370 -0.000046
C -0.677017 3.621405 0.000057
C 2.831444 2.374110 -0.000206
C -2.831358 2.374256 0.000224
C 3.542001 1.179014 -0.000251
C -3.541977 1.179196 0.000292
C 4.967422 -1.411772 -0.000236
C -4.967530 -1.411517 0.000242
C 6.656048 -3.115924 -0.000118
C -6.656242 -3.115583 0.000039
H 1.224158 -2.266485 -0.000011
H -1.224311 -2.266422 0.000216
H 1.244382 4.552015 -0.000102
H -1.244183 4.552079 0.000094
H 3.376612 3.319477 -0.000262
H -3.376478 3.319651 0.000246
H 4.639385 1.202424 -0.000349
H -4.639359 1.202663 0.000371
H 3.021634 -2.154853 -0.000153
H -3.021780 -2.154697 0.000364
H 6.626974 -4.211270 0.000135
H 7.131207 -2.715895 0.901633
H 7.131045 -2.716308 -0.902137
H -6.627224 -4.210930 0.000065
H -7.131235 -2.715755 -0.901889
H -7.131365 -2.715718 0.901882


%chk=000233939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233939

0 1
O 5.192198 -2.840130 -0.000153
O -5.192378 -2.839864 0.000206
O 5.892592 -0.590852 -0.000270
O -5.892660 -0.590550 0.000242
N 3.601118 -1.245022 -0.000255
N -3.601218 -1.244835 0.000317
C 0.721444 1.191316 -0.000035
C -0.721419 1.191353 0.000073
C 1.455092 -0.052202 -0.000088
C -1.455133 -0.052126 0.000130
C 1.432343 2.448235 -0.000090
C -1.432253 2.448310 0.000121
C 2.892332 -0.016388 -0.000195
C -2.892371 -0.016237 0.000241
C 0.692052 -1.278467 -0.000032
C -0.692157 -1.278431 0.000071
C 0.691134 3.687870 -0.000037
C -0.690979 3.687906 0.000064
C 2.851723 2.428936 -0.000195
C -2.851634 2.429085 0.000226
C 3.575488 1.225974 -0.000248
C -3.575461 1.226160 0.000287
C 4.973053 -1.444960 -0.000315
C -4.973164 -1.444704 0.000340
C 6.613421 -3.241487 -0.000068
C -6.613621 -3.241150 0.000071
H 1.192486 -2.253682 -0.000071
H -1.192642 -2.253620 0.000102
H 1.251923 4.629466 -0.000080
H -1.251718 4.629532 0.000103
H 3.396913 3.379717 -0.000238
H -3.396774 3.379894 0.000263
H 4.667037 1.231587 -0.000331
H -4.667010 1.231830 0.000368
H 3.063153 -2.112064 -0.000219
H -3.063297 -2.111903 0.000323
H 6.594402 -4.340491 0.000151
H 7.123211 -2.855164 0.898728
H 7.123211 -2.855524 -0.899018
H -6.594656 -4.340155 0.000058
H -7.123309 -2.854972 -0.898845
H -7.123475 -2.854993 0.898901


