%chk=000249347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249347

0 1
O 3.281887 3.092559 0.000375
O 1.124925 3.158549 0.000331
O 4.684648 -2.902400 -0.000021
O 5.727039 -1.004728 -0.000036
N -0.290722 0.999813 0.000165
N 2.196985 2.545794 0.000323
N 4.713700 -1.682790 -0.000009
N -1.448941 0.249501 0.000109
N -6.271006 0.147786 -0.000094
C 0.926748 0.339502 0.000167
C 2.148951 1.089956 0.000218
C 3.424216 -0.976303 0.000051
C 3.387527 0.410287 0.000148
C 1.006748 -1.091167 0.000043
C 2.217574 -1.733913 0.000002
C -3.840363 0.101360 -0.000007
C -2.594229 0.880530 0.000030
C -3.863455 -1.304639 0.000001
C -5.078292 0.788196 -0.000054
C -5.090749 -1.969488 -0.000043
C -6.273396 -1.212001 -0.000088
H 4.326617 0.995070 0.000173
H 0.074243 -1.666745 -0.000017
H 2.284901 -2.830865 -0.000083
H -0.310665 2.052018 0.000183
H -2.724084 1.977443 0.000017
H -2.927628 -1.869107 0.000043
H -5.125180 1.884764 -0.000054
H -5.132660 -3.057389 -0.000043
H -7.261239 -1.689996 -0.000129


%chk=000249347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249347

0 1
O 3.274211 3.174323 0.000332
O 0.997721 3.158016 0.000074
O 4.839835 -2.902412 0.000123
O 5.869076 -0.861316 0.000215
N -0.295730 0.896602 0.000105
N 2.157574 2.537399 0.000099
N 4.815436 -1.608749 0.000079
N -1.442367 0.123349 0.000033
N -6.319927 0.255253 0.000061
C 0.946703 0.296196 0.000074
C 2.164636 1.073149 0.000118
C 3.494907 -0.951363 0.000077
C 3.429600 0.446089 0.000129
C 1.069026 -1.131499 0.000008
C 2.316664 -1.749490 0.000013
C -3.866983 0.068084 0.000034
C -2.589154 0.778928 0.000097
C -3.967524 -1.353276 -0.000100
C -5.079255 0.816704 0.000110
C -5.242940 -1.945414 -0.000151
C -6.388770 -1.109461 -0.000067
H 4.339783 1.051179 0.000158
H 0.147051 -1.715115 -0.000032
H 2.414425 -2.838205 -0.000026
H -0.290091 1.939879 0.000249
H -2.633277 1.885060 0.000195
H -3.055041 -1.957027 -0.000161
H -5.053166 1.914381 0.000214
H -5.360596 -3.033313 -0.000253
H -7.397729 -1.536354 -0.000104


