%chk=000232587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232587

0 1
O 1.357206 2.299535 0.000296
O -1.342355 3.191306 1.087611
O -1.342470 3.191582 -1.086799
O -3.913937 -2.774379 -0.000504
O -4.906023 -0.848010 -0.000065
N 0.983426 -1.786935 -0.000096
N -1.302369 2.659072 0.000336
N -3.918426 -1.556167 -0.000255
C -0.088851 0.419148 0.000096
C -0.172350 -0.996065 -0.000056
C 2.417607 0.188276 0.000171
C 2.275947 -1.213358 0.000035
C 1.251305 1.091090 0.000182
C -1.293202 1.145423 0.000146
C -1.435690 -1.648149 -0.000173
C -2.583641 -0.874279 -0.000128
C -2.540545 0.531140 0.000034
C 3.717507 0.739685 0.000295
C 3.409068 -2.058567 0.000024
C 4.833264 -0.086181 0.000285
C 4.674495 -1.484412 0.000149
H 0.892299 -2.802950 -0.000197
H -1.508920 -2.741940 -0.000301
H -3.475734 1.106818 0.000070
H 3.819416 1.831987 0.000399
H 3.297324 -3.140121 -0.000078
H 5.834497 0.343659 0.000380
H 5.559454 -2.125209 0.000143


%chk=000232587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232587

0 1
O 1.352668 2.361237 0.000358
O -1.366172 3.222381 1.146262
O -1.366330 3.222646 -1.145480
O -3.924589 -2.847125 -0.000505
O -4.969707 -0.816062 -0.000152
N 0.989349 -1.778097 -0.000111
N -1.302944 2.646318 0.000320
N -3.916650 -1.556924 -0.000193
C -0.079205 0.418692 0.000082
C -0.172119 -1.014564 -0.000068
C 2.428895 0.195169 0.000157
C 2.275916 -1.225051 0.000014
C 1.249967 1.091531 0.000140
C -1.298426 1.147835 0.000146
C -1.436605 -1.662349 -0.000161
C -2.590116 -0.871905 -0.000098
C -2.558677 0.541304 0.000056
C 3.738668 0.746288 0.000303
C 3.418700 -2.070134 0.000007
C 4.868055 -0.085949 0.000300
C 4.701943 -1.499816 0.000149
H 0.900037 -2.796024 -0.000211
H -1.532262 -2.752071 -0.000273
H -3.488344 1.114157 0.000100
H 3.825175 1.837616 0.000409
H 3.296021 -3.160035 -0.000103
H 5.873612 0.345434 0.000411
H 5.581441 -2.152502 0.000146


