%chk=000228918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228918

0 1
O 4.146602 -0.958107 -0.434641
O 4.145548 1.232007 0.408959
C 2.140535 0.283224 -0.393797
C 3.426074 -0.014429 0.371433
C 0.891311 -0.001438 0.442955
C -0.386801 0.306393 -0.349192
C 5.507330 -1.221532 0.007392
C -1.643496 0.023624 0.484848
C 6.277786 0.106953 0.059366
C -2.921432 0.330937 -0.307415
C 5.497136 1.119807 0.897728
C -4.178926 0.049867 0.526218
C 6.044466 -2.189734 -1.035081
C -5.455837 0.356345 -0.267326
C -6.714855 0.076944 0.566578
C -7.967002 0.370926 -0.206176
C -9.043774 -0.412464 -0.194043
H 2.136279 -0.317027 -1.330275
H 2.160992 1.344363 -0.726928
H 3.320166 -0.408637 1.399163
H 0.886030 -1.061298 0.765600
H 0.912253 0.604022 1.370607
H -0.381215 1.364516 -0.675920
H -0.407602 -0.295505 -1.278534
H 5.447189 -1.691067 1.014343
H -1.648688 -1.034291 0.811330
H -1.622574 0.626075 1.413501
H 7.296654 -0.039988 0.454693
H 6.395177 0.501480 -0.971408
H -2.942706 -0.272136 -1.235795
H -2.915503 1.388367 -0.635552
H 5.876107 2.150942 0.778394
H 5.469037 0.851201 1.967740
H -4.183856 -1.007652 0.854188
H -4.157791 0.653143 1.454273
H 5.961827 -1.766407 -2.046091
H 7.092908 -2.443442 -0.854136
H 5.458968 -3.118711 -1.042854
H -5.448672 1.412336 -0.599847
H -5.481495 -0.251901 -1.192720
H -6.707946 0.699266 1.486866
H -6.703676 -0.973353 0.922306
H -7.943444 1.297829 -0.782910
H -9.946564 -0.185107 -0.740954
H -9.110021 -1.337740 0.358215


%chk=000228918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228918

0 1
O 4.492294 -0.902132 -0.872920
O 3.687708 0.762383 0.691696
C 2.117460 -0.468759 -0.683941
C 3.436039 -0.544773 0.074954
C 0.897947 -0.297767 0.247813
C -0.429044 -0.154333 -0.529654
C 5.815575 -0.991395 -0.195912
C -1.663776 -0.050386 0.393308
C 6.126165 0.359196 0.487874
C -2.989289 0.144962 -0.376771
C 4.967292 0.744558 1.428818
C -4.227635 0.208168 0.545238
C 6.824636 -1.395389 -1.269077
C -5.548875 0.433174 -0.223476
C -6.789201 0.480081 0.709127
C -8.073884 0.772736 -0.036701
C -9.177654 -0.016822 -0.049560
H 2.019921 -1.393002 -1.284300
H 2.185555 0.379114 -1.391000
H 3.418963 -1.313057 0.890440
H 0.828164 -1.171488 0.930130
H 1.055441 0.591900 0.887218
H -0.376954 0.745744 -1.177080
H -0.554658 -1.021331 -1.212150
H 5.744649 -1.783383 0.587633
H -1.733034 -0.967278 1.015685
H -1.522993 0.794212 1.099944
H 7.072391 0.288426 1.059817
H 6.245761 1.136054 -0.289699
H -3.116848 -0.683401 -1.104907
H -2.929625 1.077717 -0.975847
H 5.083313 1.759958 1.840165
H 4.896675 0.018309 2.270786
H -4.298298 -0.733438 1.129030
H -4.092281 1.023423 1.287073
H 6.859799 -0.631317 -2.065440
H 7.835241 -1.499828 -0.833778
H 6.535961 -2.357039 -1.726915
H -5.484386 1.382641 -0.794713
H -5.689111 -0.372381 -0.971904
H -6.619194 1.268633 1.473665
H -6.881316 -0.478672 1.255865
H -8.083470 1.709710 -0.617753
H -10.074624 0.255130 -0.617737
H -9.214301 -0.960258 0.510054


