%chk=000271373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271373

0 1
O -2.574035 -1.161514 1.607588
O -3.069616 -3.042227 -0.984986
O -1.169237 -1.901847 4.172073
O 1.085156 -4.069649 1.446909
O 3.197367 0.637318 0.703122
O 1.777007 -0.341576 -0.815941
N -2.393955 0.405593 -0.157870
N 0.274444 -2.556887 -0.061355
N -0.997163 2.209358 -0.497513
N -4.586207 1.630734 -0.212118
N 3.145563 -1.613230 0.569590
N -4.314846 4.032313 -0.608051
N -2.207367 5.070718 -0.872742
C -1.104629 -2.662782 0.441705
C -2.133780 -2.068677 -0.563236
C -1.291946 -1.843052 1.752229
C -2.863738 -0.936843 0.225940
C -1.404562 -2.703479 3.014607
C -3.219226 1.538410 -0.266037
C 1.304679 -3.260019 0.566346
C -1.044752 0.892585 -0.292319
C 2.721916 -2.923982 0.016878
C -2.333937 2.649911 -0.490391
C 3.704014 -4.009459 0.431232
C -2.937582 3.931392 -0.662505
C -5.051129 2.898158 -0.388691
C 2.636664 -0.431911 0.054953
C 2.809302 1.975940 0.221363
C 3.664001 2.347720 -0.952759
C 4.852785 3.066949 -0.764539
C 3.268950 1.974262 -2.246429
C 5.635666 3.419842 -1.867582
C 4.055402 2.328267 -3.345057
C 5.237462 3.052770 -3.157084
H -1.334925 -3.750655 0.617294
H -1.690821 -1.727990 -1.527936
H -0.521114 -1.052028 1.884953
H -3.984020 -0.975461 0.156256
H -0.584423 -3.458467 3.053953
H -2.389269 -3.196673 3.092911
H 0.479360 -1.813523 -0.746949
H -3.549455 -3.443175 -0.223229
H -0.187154 0.225844 -0.253533
H 2.677378 -2.850822 -1.107014
H -1.880825 -1.227799 4.264062
H 3.684655 -4.192820 1.517907
H 3.443230 -4.971040 -0.036652
H 4.734083 -3.770537 0.139335
H 3.807388 -1.601316 1.345013
H -6.146221 3.035893 -0.353707
H -2.665822 5.956807 -1.016612
H -1.203835 5.023946 -0.953140
H 3.007892 2.573472 1.131609
H 1.724997 1.980153 -0.011767
H 5.170263 3.348665 0.238259
H 2.349071 1.398501 -2.386258
H 6.557634 3.980101 -1.721366
H 3.746835 2.039272 -4.348624
H 5.848330 3.329747 -4.014892


%chk=000271373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271373

0 1
O -2.817859 -1.301076 1.487668
O -3.011729 -3.173126 -1.098081
O -1.909930 -1.735195 4.167363
O 1.065191 -4.159701 1.601614
O 3.252750 0.642964 0.607902
O 1.843676 -0.451959 -0.932156
N -2.375818 0.371971 -0.234860
N 0.297831 -2.580557 0.063045
N -0.983673 2.166943 -0.593383
N -4.532531 1.586380 0.007780
N 3.142455 -1.631297 0.614198
N -4.258293 4.020485 -0.225626
N -2.171210 5.048534 -0.635559
C -1.107309 -2.668099 0.470487
C -2.093271 -2.137378 -0.629347
C -1.444495 -1.832224 1.747662
C -2.881309 -0.979166 0.055316
C -1.532212 -2.613031 3.059183
C -3.187098 1.520476 -0.190875
C 1.288996 -3.311963 0.685184
C -1.064446 0.829039 -0.477558
C 2.722317 -2.979340 0.157455
C -2.309211 2.612497 -0.414228
C 3.736337 -4.032052 0.620850
C -2.901992 3.909911 -0.427562
C -4.983835 2.877173 -0.025813
C 2.691369 -0.480276 0.021792
C 2.836528 1.986563 0.040060
C 3.717052 2.392266 -1.119065
C 4.944297 3.064219 -0.885032
C 3.324225 2.111673 -2.453252
C 5.770919 3.445059 -1.964946
C 4.149203 2.493951 -3.534222
C 5.373625 3.160399 -3.292695
H -1.331604 -3.734306 0.664878
H -1.574382 -1.814588 -1.546150
H -0.740932 -0.981662 1.855620
H -3.948534 -0.979867 -0.217230
H -0.549655 -3.034999 3.318673
H -2.257536 -3.446715 2.936334
H 0.609529 -1.856328 -0.606180
H -3.532857 -3.516193 -0.325864
H -0.203644 0.173428 -0.592887
H 2.679126 -2.944789 -0.948021
H -2.755198 -1.278858 3.919308
H 3.742230 -4.112768 1.721650
H 3.454411 -5.022836 0.229810
H 4.748178 -3.782045 0.257315
H 3.777107 -1.550410 1.411005
H -6.057969 3.017683 0.125779
H -2.650103 5.946802 -0.636689
H -1.168275 4.988759 -0.796515
H 2.966349 2.647089 0.911320
H 1.771535 1.931916 -0.242387
H 5.251361 3.286173 0.144527
H 2.379470 1.586960 -2.631683
H 6.716586 3.964665 -1.774776
H 3.838137 2.275596 -4.561831
H 6.012027 3.458434 -4.132104


