%chk=000230724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230724

0 1
O -4.639640 0.994623 0.990025
O -5.230118 -0.290612 -0.916092
O 2.532788 2.117508 -0.354870
O 0.707647 -1.629647 0.989683
N 4.130374 0.540157 0.014580
N 0.685416 0.650612 1.161484
C 4.914509 1.013951 -1.163170
C 4.612992 -0.691184 0.693663
C 2.929853 1.169621 0.314028
C 2.114930 0.691488 1.523018
C -1.313827 -0.503332 0.346252
C -3.530595 0.300205 0.522929
C -3.889386 -0.474283 -0.624516
C 6.143021 1.807677 -0.724627
C 3.890655 -1.939912 0.196580
C -2.254270 0.307584 1.033123
C 0.099745 -0.581122 0.834262
C -1.664123 -1.269830 -0.765230
C -2.978506 -1.266933 -1.286460
C -5.744713 0.640998 0.095518
H 5.208054 0.138578 -1.781838
H 4.253348 1.657606 -1.796900
H 5.709323 -0.785452 0.518972
H 4.486243 -0.579723 1.794307
H 2.260530 1.418656 2.356876
H 2.430722 -0.309784 1.906752
H 0.313501 1.525327 0.783028
H 6.701393 2.172070 -1.594946
H 6.829485 1.211405 -0.114519
H 5.857120 2.686057 -0.130152
H 4.291160 -2.844658 0.666957
H 3.978581 -2.063040 -0.888515
H 2.808624 -1.916292 0.423647
H -1.982850 0.885009 1.914159
H -0.909466 -1.898299 -1.246794
H -3.247608 -1.861668 -2.155189
H -6.066677 1.554173 -0.422360
H -6.502131 0.109266 0.686633


%chk=000230724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230724

0 1
O -4.108867 1.907846 -0.475873
O -5.742547 0.227521 0.038845
O 2.302046 1.534482 -0.613613
O 0.053754 -2.272691 1.399276
N 4.288783 0.428109 -0.111768
N 0.698173 -0.301693 0.382934
C 5.079681 1.519568 -0.736541
C 5.032326 -0.725114 0.447538
C 2.914983 0.537372 -0.098575
C 2.112254 -0.595681 0.569782
C -1.708526 -0.789646 0.605607
C -3.472473 0.713915 -0.045235
C -4.437197 -0.271522 0.260831
C 5.479279 2.610665 0.278734
C 5.383230 -1.793270 -0.612421
C -2.106077 0.494449 0.116292
C -0.269269 -1.176018 0.827414
C -2.685645 -1.769611 0.917076
C -4.072538 -1.528168 0.751475
C -5.546903 1.557233 -0.602955
H 5.976929 1.068025 -1.199239
H 4.462638 1.962846 -1.535933
H 5.958992 -0.333582 0.908135
H 4.447538 -1.181429 1.264002
H 2.354132 -0.665707 1.650341
H 2.363971 -1.583013 0.135403
H 0.514980 0.576871 -0.116030
H 6.087048 3.389356 -0.217254
H 6.073858 2.193399 1.112241
H 4.578029 3.090453 0.696260
H 5.969431 -2.609786 -0.152968
H 5.984494 -1.360336 -1.431826
H 4.470848 -2.231334 -1.053756
H -1.396195 1.294403 -0.111220
H -2.326356 -2.730364 1.297853
H -4.821893 -2.284918 0.995508
H -5.807934 1.478391 -1.674920
H -6.148873 2.305780 -0.065124


