%chk=000297012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297012

0 1
O -4.788081 0.269790 -0.000036
O 3.648350 -1.601540 -0.000152
O 0.041031 5.374677 0.000091
O 2.096010 4.699289 -0.000215
O -2.907099 -1.065712 -0.000138
O 3.882775 0.694466 -0.000073
N -2.807980 1.293089 -0.000073
N 1.782164 -0.383960 -0.000149
N 0.895528 4.503050 -0.000074
C -1.399883 1.509713 -0.000085
C 0.897686 0.729287 -0.000121
C -0.482442 0.449115 -0.000110
C 0.420188 3.082719 -0.000084
C -0.954977 2.849064 -0.000071
C 1.364828 2.058659 -0.000107
C -3.416369 0.026787 -0.000109
C 3.185701 -0.286371 -0.000116
C -5.653651 -0.851779 -0.000007
C 5.050455 -1.802394 -0.000088
C -6.099602 -1.335590 1.231746
C -6.099114 -1.336110 -1.231734
C 5.691404 -1.952073 1.231622
C 5.691843 -1.950575 -1.231752
C -7.059369 -2.352233 1.216139
C -7.058882 -2.352748 -1.216080
C 7.049201 -2.285261 1.216058
C 7.049636 -2.283773 -1.216110
C -7.535705 -2.857021 0.000042
C 7.723377 -2.450389 -0.000006
H -0.842785 -0.588093 -0.000121
H -1.652054 3.691472 -0.000049
H 2.442953 2.291376 -0.000117
H -3.421748 2.117830 -0.000024
H 1.368893 -1.326094 -0.000189
H -5.712805 -0.929188 2.163307
H -5.711940 -0.930106 -2.163312
H 5.147383 -1.814530 2.163100
H 5.148162 -1.811884 -2.163258
H -7.434785 -2.754020 2.157515
H -7.433923 -2.754937 -2.157434
H 7.584056 -2.412542 2.157401
H 7.584829 -2.409901 -2.157416
H -8.281715 -3.651066 0.000060
H 8.782257 -2.706494 0.000026


%chk=000297012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297012

0 1
O -4.828048 0.298594 0.000106
O 3.663906 -1.620961 0.000442
O -0.081732 5.467716 -0.000639
O 2.098374 4.805929 -0.000496
O -2.912725 -1.099901 0.000226
O 3.965023 0.732627 -0.000176
N -2.797739 1.269696 0.000068
N 1.833809 -0.312011 0.000296
N 0.835088 4.556921 -0.000577
C -1.402510 1.518646 0.000014
C 0.940525 0.785678 0.000117
C -0.444342 0.477668 0.000194
C 0.398328 3.131724 -0.000302
C -0.982571 2.871183 -0.000233
C 1.386992 2.130586 -0.000135
C -3.432069 0.037009 0.000189
C 3.221423 -0.268694 0.000124
C -5.724305 -0.823950 0.000057
C 5.079039 -1.864387 0.000181
C -6.180383 -1.329657 1.231872
C -6.178764 -1.330952 -1.231826
C 5.743161 -2.017984 1.231705
C 5.743316 -2.015137 -1.231615
C -7.125599 -2.380211 1.225049
C -7.123980 -2.381505 -1.225142
C 7.120361 -2.334550 1.224783
C 7.120515 -2.331695 -1.225260
C -7.597761 -2.906520 -0.000081
C 7.809699 -2.491847 -0.000379
H -0.788490 -0.560661 0.000378
H -1.688071 3.706906 -0.000382
H 2.447384 2.387577 -0.000204
H -3.423496 2.078603 -0.000022
H 1.430821 -1.252163 0.000536
H -5.804913 -0.906857 2.168880
H -5.802062 -0.909153 -2.168791
H 5.191912 -1.891814 2.168652
H 5.192203 -1.886787 -2.168347
H -7.491143 -2.784783 2.174807
H -7.488267 -2.787084 -2.174954
H 7.651885 -2.456056 2.174580
H 7.652160 -2.450982 -2.175270
H -8.330401 -3.720497 -0.000134
H 8.877250 -2.736267 -0.000595


