%chk=000223960.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223960

0 1
O 0.477889 1.662760 -0.529111
O 3.252748 -1.770544 0.562204
O -3.224644 -1.533395 0.395345
O 1.677800 -0.665435 -2.047445
O -1.133356 1.524498 1.051905
O 2.320851 -0.089606 1.752835
O -3.296244 0.018826 -1.244796
N 0.336485 -1.589025 -0.472447
C 1.251460 -2.752754 -0.350037
C -0.819061 -1.560317 0.446750
C 0.684885 -0.549010 -1.343677
C -0.210036 0.708750 -1.399089
C 2.158981 -2.667432 0.887504
C -2.066987 -2.160208 -0.221538
C -0.193630 1.326940 -2.781573
C -0.074283 1.987863 0.692981
C 3.113260 -0.434428 0.906625
C -3.729777 -0.384740 -0.191049
C 0.848312 2.957998 1.375206
C 4.058674 0.363637 0.060581
C -4.804738 0.167385 0.699214
C 1.002217 2.593499 2.845246
C 4.238905 1.777307 0.588173
C -5.998331 0.642310 -0.116637
H 0.657128 -3.690606 -0.327644
H 1.899869 -2.790586 -1.267263
H -0.579253 -2.104646 1.386940
H -1.043302 -0.513207 0.785430
H -1.253639 0.541601 -1.031056
H 2.677267 -3.622473 1.085448
H 1.639488 -2.313726 1.796786
H -2.220602 -3.226574 0.013283
H -2.090280 -2.002621 -1.316150
H 0.830032 1.388103 -3.184935
H -0.602415 2.345466 -2.760823
H -0.794852 0.737443 -3.486515
H 1.851872 2.946798 0.871056
H 0.446619 3.985800 1.253191
H 3.636143 0.375440 -0.980732
H 5.032186 -0.163196 -0.035478
H -4.361954 1.010573 1.281496
H -5.112437 -0.587587 1.455971
H 0.031075 2.527086 3.353208
H 1.496945 1.611379 2.956720
H 1.611578 3.332003 3.376715
H 3.267314 2.303011 0.660846
H 4.686914 1.785858 1.589471
H 4.884868 2.365085 -0.074760
H -5.691941 1.348061 -0.903217
H -6.512803 -0.191450 -0.610808
H -6.731504 1.153588 0.519053


%chk=000223960-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223960

0 1
O 0.491739 1.885671 -0.707208
O 3.316795 -1.834733 0.569408
O -3.434935 -1.888559 0.152940
O 1.807472 -0.543441 -1.945244
O -0.856854 1.509077 1.164458
O 2.436913 0.080247 1.577544
O -3.613014 0.198962 -0.876264
N 0.281388 -1.506276 -0.477258
C 1.159850 -2.689774 -0.317557
C -0.986586 -1.503203 0.285503
C 0.704998 -0.476686 -1.314641
C -0.191255 0.778349 -1.473522
C 2.098298 -2.614887 0.904443
C -2.143359 -2.089754 -0.556920
C -0.231408 1.236377 -2.930021
C 0.065973 2.143119 0.599070
C 3.319387 -0.465402 0.875873
C -4.066515 -0.652089 -0.078048
C 0.843223 3.300509 1.200694
C 4.498841 0.211225 0.208089
C -5.318195 -0.527105 0.770768
C 1.080057 3.110597 2.713985
C 4.865692 1.563098 0.846034
C -6.265936 0.580627 0.274759
H 0.521206 -3.588265 -0.218420
H 1.775927 -2.790143 -1.227721
H -0.845414 -2.107933 1.198875
H -1.229029 -0.480725 0.619652
H -1.207715 0.653104 -1.066665
H 2.475146 -3.620214 1.155984
H 1.599754 -2.161272 1.780508
H -2.064777 -3.181455 -0.684901
H -2.190072 -1.592872 -1.542361
H 0.792647 1.354310 -3.318304
H -0.775735 2.192178 -3.007588
H -0.756380 0.485908 -3.548462
H 1.791572 3.411387 0.649063
H 0.254078 4.222264 1.018134
H 4.197688 0.344158 -0.851055
H 5.352790 -0.488967 0.199749
H -4.984919 -0.314662 1.806521
H -5.816456 -1.512396 0.808563
H 0.121498 2.975356 3.243304
H 1.700853 2.216223 2.890646
H 1.593944 3.993015 3.134834
H 3.990748 2.235053 0.865645
H 5.215275 1.436771 1.886037
H 5.668855 2.053205 0.268229
H -5.740112 1.548344 0.218055
H -6.654092 0.352206 -0.733103
H -7.124154 0.684973 0.961304


