%chk=000294313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294313

0 1
O 2.947588 -1.073761 -0.688113
O 1.178777 -2.325291 -1.346649
O -3.312324 2.251900 -0.410957
O -3.279387 -2.521920 0.263152
O -4.743425 0.002882 0.065933
N 0.880169 -0.291701 -0.139632
C 3.193572 0.187460 0.069248
C 4.040158 -0.203007 1.282134
C 3.874751 1.153706 -0.901763
C 5.444610 -0.654716 0.862849
C 5.283119 0.673679 -1.274471
C 6.128518 0.391940 -0.025864
C 1.780546 0.647912 0.458928
C 1.600777 -1.351069 -0.790898
C 1.479090 1.684694 1.238045
C -0.556364 -0.205561 -0.116574
C -1.296856 -1.374041 0.049926
C -1.180173 1.046367 -0.284650
C -2.575505 1.105822 -0.252733
C -2.707427 -1.300153 0.068436
C -3.365499 -0.061408 -0.074521
C -2.596703 3.498516 -0.607819
C -4.728179 -2.615275 0.330504
C -5.436834 0.486968 -1.118492
H 3.536997 -1.016565 1.843364
H 4.104568 0.658795 1.975651
H 3.921572 2.159886 -0.440028
H 3.260781 1.258396 -1.818853
H 5.367577 -1.617003 0.313797
H 6.056998 -0.857383 1.760642
H 5.779324 1.426542 -1.913912
H 5.201657 -0.250329 -1.885192
H 6.294154 1.326335 0.542529
H 7.131971 0.033645 -0.324349
H 0.472144 1.951412 1.527556
H 2.227169 2.336662 1.661320
H -0.822159 -2.352984 0.146097
H -0.582233 1.934300 -0.455471
H -2.016842 3.461405 -1.534336
H -1.968759 3.716683 0.260784
H -3.423714 4.216460 -0.684573
H -5.117359 -1.943221 1.104965
H -4.867683 -3.670151 0.592980
H -5.158156 -2.375537 -0.645281
H -5.202472 -0.138350 -1.981682
H -5.166728 1.534346 -1.298846
H -6.485808 0.395312 -0.820281


%chk=000294313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294313

0 1
O 2.944603 -1.068201 -0.716534
O 1.065746 -2.204237 -1.522666
O -3.293423 2.304305 -0.582047
O -3.359171 -2.434580 0.674144
O -4.776019 0.084370 0.172652
N 0.886006 -0.288155 -0.098795
C 3.197249 0.170403 0.119622
C 4.126627 -0.239117 1.281380
C 3.851603 1.223677 -0.807115
C 5.522830 -0.675809 0.780033
C 5.246242 0.772259 -1.297465
C 6.169922 0.411966 -0.109976
C 1.789862 0.577371 0.572886
C 1.559531 -1.284691 -0.851274
C 1.483000 1.562761 1.455048
C -0.550607 -0.196788 -0.049132
C -1.311463 -1.325789 0.285039
C -1.173354 1.035463 -0.367675
C -2.579057 1.120949 -0.327993
C -2.727548 -1.247394 0.296098
C -3.381706 -0.016906 0.003221
C -2.516855 3.523131 -0.825542
C -4.730182 -2.737054 0.225511
C -5.566010 0.487053 -1.012437
H 3.643162 -1.047988 1.859028
H 4.223439 0.632323 1.959100
H 3.936052 2.167812 -0.232618
H 3.177027 1.420180 -1.661455
H 5.417724 -1.611145 0.197997
H 6.169218 -0.901650 1.649323
H 5.697667 1.575613 -1.910338
H 5.127251 -0.112331 -1.951530
H 6.364452 1.320965 0.497471
H 7.149872 0.060851 -0.485167
H 0.452835 1.785962 1.742219
H 2.277687 2.148877 1.922734
H -0.843461 -2.287479 0.504058
H -0.558095 1.894010 -0.644764
H -1.914228 3.439463 -1.750663
H -1.854690 3.752009 0.031438
H -3.265418 4.320640 -0.940932
H -5.468612 -2.120879 0.760930
H -4.863204 -3.804784 0.459691
H -4.832322 -2.579536 -0.865537
H -5.453057 -0.259643 -1.823601
H -5.254645 1.483204 -1.365827
H -6.610483 0.511138 -0.665640


