%chk=000251176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251176

0 1
O -2.920016 -0.195680 -1.364129
O -2.310250 -1.021117 2.719701
O -4.264254 0.977778 1.785713
O -1.903202 -2.051261 -2.047307
O -1.984090 2.423893 -0.771234
O 3.484516 2.120814 0.814674
O 5.335494 0.891445 -0.020271
N -0.672919 -1.094530 0.432987
C -2.894938 -0.985631 1.424936
C -3.149612 0.486013 1.021723
C -2.009704 -1.707360 0.374654
C -3.639961 0.648685 -0.431431
C -2.722681 -1.569942 -1.000180
C -3.350981 2.059223 -0.976095
C 0.280388 -1.531184 -0.326406
C 1.622705 -0.907452 -0.248923
C 1.776917 0.391688 0.307446
C 2.718054 -1.626419 -0.740206
C 3.057740 0.890267 0.332317
C 4.173256 0.151963 -0.168699
C 4.031444 -1.107481 -0.708190
C 4.934301 2.156929 0.606958
H -3.859691 -1.526077 1.580903
H -2.254117 1.121319 1.225019
H -1.953274 -2.798258 0.640195
H -4.721319 0.390713 -0.507707
H -3.677066 -2.132125 -1.054180
H -3.913716 2.826982 -0.406915
H -3.586494 2.122846 -2.054499
H -1.366233 -0.718986 2.687591
H -4.058297 0.905366 2.747702
H -1.525835 -1.290619 -2.561833
H 0.192141 -2.354654 -1.060571
H -1.397779 1.736217 -1.165338
H 0.922840 0.947941 0.694184
H 2.572566 -2.622651 -1.160398
H 4.877018 -1.673706 -1.088597
H 5.416076 2.210990 1.592125
H 5.154873 2.966961 -0.100717


%chk=000251176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251176

0 1
O -3.010857 0.126627 -1.456014
O -2.203826 -1.089211 2.553757
O -4.232587 0.918079 1.974012
O -1.800653 -1.648571 -2.375483
O -2.878677 2.843966 -0.922866
O 3.768745 2.133562 0.519502
O 5.616606 0.674944 0.043462
N -0.638550 -0.868875 0.196697
C -2.851721 -0.972842 1.236218
C -3.240896 0.494556 0.980450
C -1.952989 -1.533522 0.112861
C -3.906974 0.657387 -0.396455
C -2.637004 -1.281332 -1.276210
C -4.146603 2.123428 -0.780792
C 0.429318 -1.578874 -0.082060
C 1.786501 -1.013255 -0.058429
C 1.993113 0.372054 0.245066
C 2.889801 -1.864690 -0.342394
C 3.306859 0.822319 0.254625
C 4.401932 -0.033892 -0.026302
C 4.224981 -1.386125 -0.331457
C 5.249408 2.071080 0.424466
H -3.773426 -1.576406 1.327964
H -2.332411 1.129654 1.021859
H -1.871258 -2.639284 0.217890
H -4.871468 0.103209 -0.397203
H -3.536638 -1.924094 -1.357447
H -4.699978 2.627543 0.026594
H -4.733147 2.163505 -1.721586
H -1.282938 -0.725130 2.446243
H -3.874776 0.660209 2.863873
H -1.019979 -1.034841 -2.397863
H 0.360153 -2.658437 -0.338809
H -2.313286 2.303195 -1.534142
H 1.139303 1.020690 0.454033
H 2.704359 -2.919833 -0.573997
H 5.074910 -2.036777 -0.549016
H 5.687107 2.296000 1.412030
H 5.591447 2.756885 -0.368078


