%chk=000198292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198292

0 1
O 0.122662 2.361197 -0.301942
O -4.525062 -0.390918 1.545243
O -4.657794 -0.245591 -0.686097
N -0.335068 0.074993 -0.835056
N 1.709451 0.598672 -0.076419
N 0.354524 -1.129923 -0.713588
C -1.808764 0.046094 -0.937015
C 1.594723 -0.828338 -0.301184
C 0.417582 1.193557 -0.362476
C -2.470885 -0.170557 0.432183
C 2.895521 1.174956 0.407332
C 2.750467 -1.650145 -0.041723
C 3.963474 0.363912 0.644781
C 3.887526 -1.062422 0.414825
C -3.957645 -0.264096 0.297150
H -2.137650 1.014942 -1.388008
H -2.098881 -0.769944 -1.646158
H -2.206599 0.646770 1.142537
H -2.080178 -1.098821 0.915093
H 2.879271 2.260199 0.555883
H 2.655587 -2.720453 -0.226883
H 4.903027 0.776284 1.010117
H 4.782009 -1.653349 0.622892
H -5.517796 -0.458920 1.510612


%chk=000198292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198292

0 1
O 0.302225 2.488833 -0.355139
O -4.815540 -0.644019 1.331680
O -4.597609 -0.203728 -0.938473
N -0.338657 0.157809 -0.431008
N 1.784451 0.593914 -0.060869
N 0.274608 -1.113800 -0.291561
C -1.773149 0.248904 -0.691968
C 1.572918 -0.811953 -0.067834
C 0.528393 1.250727 -0.295043
C -2.588835 -0.278857 0.506122
C 3.024716 1.179685 0.145522
C 2.702693 -1.664408 0.148985
C 4.115284 0.357217 0.355107
C 3.948107 -1.082002 0.355860
C -4.065499 -0.356515 0.183160
H -1.994529 1.310986 -0.889761
H -2.018202 -0.328902 -1.599114
H -2.447951 0.352107 1.401723
H -2.235157 -1.292263 0.776470
H 3.045390 2.271901 0.125402
H 2.552349 -2.746459 0.144217
H 5.099636 0.801543 0.518443
H 4.823094 -1.717782 0.522569
H -5.779232 -0.704841 1.087608


