%chk=000257826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257826

0 1
O -6.632884 1.126661 0.489109
O 6.659036 -1.095588 -0.243546
O 6.659223 1.065891 -0.315602
N 6.098994 -0.011829 -0.192471
C -0.352591 -0.014520 -0.657187
C 0.397960 0.016519 0.685607
C -1.839687 -0.009280 -0.429283
C 1.883686 0.009337 0.461580
C -2.544217 -1.219706 -0.333140
C -2.530151 1.206131 -0.302919
C 2.581017 -1.209732 0.392818
C 2.580474 1.221378 0.311556
C -4.616616 -0.003755 0.004713
C -3.923811 -1.215607 -0.119177
C -3.907642 1.206623 -0.085931
C 3.957452 -1.222717 0.180059
C 3.956911 1.220789 0.098340
C 4.640577 -0.004373 0.033306
C -6.092254 0.069080 0.238133
C -6.885018 -1.203390 0.144189
H -0.047126 -0.907898 -1.241045
H -0.050318 0.853493 -1.280353
H 0.087669 -0.848441 1.309667
H 0.090546 0.911673 1.267578
H -2.015629 -2.166474 -0.426622
H -1.993513 2.150672 -0.373782
H 2.044147 -2.151580 0.506809
H 2.043025 2.168609 0.362463
H -4.453783 -2.165702 -0.047235
H -4.453588 2.150703 0.018398
H 4.512249 -2.166142 0.126003
H 4.511207 2.158855 -0.018642
H -6.610605 -1.914966 0.933283
H -6.751880 -1.702523 -0.823776
H -7.961659 -0.998293 0.258800


%chk=000257826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257826

0 1
O -6.756419 1.177130 0.341638
O 6.763426 -1.156394 -0.250040
O 6.766151 1.124354 -0.301002
N 6.165389 -0.013145 -0.180896
C -0.353803 -0.002390 -0.679932
C 0.411397 0.012714 0.688265
C -1.860362 0.000700 -0.484284
C 1.916687 0.006982 0.493826
C -2.587869 -1.215516 -0.416164
C -2.570582 1.221695 -0.325715
C 2.632119 -1.217754 0.406845
C 2.634869 1.225026 0.351873
C -4.685661 0.006077 -0.037440
C -3.980904 -1.216684 -0.196769
C -3.959417 1.226675 -0.105733
C 4.022321 -1.237060 0.185587
C 4.025109 1.231024 0.130176
C 4.701154 -0.006260 0.049047
C -6.170704 0.063853 0.194767
C -6.959939 -1.240717 0.248203
H -0.039575 -0.897388 -1.249075
H -0.039310 0.881287 -1.266874
H 0.094281 -0.868723 1.276143
H 0.098054 0.909515 1.254577
H -2.057586 -2.167198 -0.544635
H -2.026023 2.172298 -0.385421
H 2.092787 -2.165108 0.521961
H 2.097803 2.177886 0.424247
H -4.515954 -2.171351 -0.154430
H -4.516761 2.161958 0.013435
H 4.586663 -2.171124 0.121293
H 4.591498 2.160000 0.024023
H -6.592754 -1.895917 1.060172
H -6.863432 -1.801989 -0.699913
H -8.021449 -1.010558 0.423948


