%chk=000216670.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216670

0 1
O 2.748039 -1.356210 0.914037
O -1.342050 -3.050597 -0.941423
N 0.648546 -0.465777 0.352038
N -0.518938 -0.925567 -0.359365
C 1.517510 -1.612325 0.415319
C 1.189376 0.829182 -0.040137
C -1.767077 -0.268043 -0.038673
C -0.435032 -2.413707 -0.474530
C 0.892206 -2.758314 0.008171
C 0.714561 1.539968 -1.152569
C 2.177927 1.376133 0.798682
C -2.883552 -0.626261 -0.820859
C -1.879458 0.718341 0.955392
C 1.228314 2.812836 -1.414517
C 2.680926 2.646567 0.516403
C -4.101454 0.017202 -0.604295
C -3.107946 1.354681 1.149783
C 2.207764 3.367811 -0.585673
C -4.218569 1.010796 0.374438
C 3.598374 -2.530103 1.104722
H 1.244335 -3.770144 0.020892
H -0.047988 1.111268 -1.806016
H 2.548678 0.811030 1.655432
H -2.798432 -1.412620 -1.575947
H -1.026621 0.988869 1.576025
H 0.860598 3.372702 -2.274622
H 3.445860 3.078242 1.161316
H -4.967935 -0.259760 -1.204580
H -3.197184 2.122941 1.917081
H 2.602842 4.359707 -0.797278
H -5.171493 1.509788 0.532992
H 4.512825 -2.072279 1.504119
H 3.780496 -3.018385 0.142089
H 3.137953 -3.210074 1.828253


%chk=000216670-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216670

0 1
O 2.810354 -1.406247 0.925142
O -1.402365 -3.181166 -0.772186
N 0.696982 -0.524852 0.345872
N -0.531126 -1.009182 -0.214872
C 1.531930 -1.647529 0.485844
C 1.168164 0.801658 0.018433
C -1.746213 -0.273473 -0.022053
C -0.448271 -2.461264 -0.363309
C 0.890830 -2.808433 0.092013
C 0.732761 1.450185 -1.162844
C 2.058410 1.449161 0.909285
C -2.854338 -0.573051 -0.856971
C -1.856463 0.723819 0.980527
C 1.197165 2.751389 -1.449556
C 2.529034 2.742917 0.599511
C -4.066196 0.126246 -0.675769
C -3.070390 1.425991 1.134567
C 2.098761 3.402016 -0.575757
C -4.181789 1.132488 0.311329
C 3.696853 -2.585040 0.951911
H 1.263617 -3.827235 0.126400
H 0.041015 0.941924 -1.840323
H 2.378495 0.940446 1.822087
H -2.764057 -1.357760 -1.610723
H -1.007956 0.941872 1.634812
H 0.856152 3.254162 -2.361048
H 3.222634 3.240824 1.285829
H -4.921548 -0.115231 -1.316390
H -3.147792 2.198731 1.907563
H 2.457036 4.411328 -0.804689
H -5.123046 1.677942 0.438392
H 4.671065 -2.201051 1.284071
H 3.778473 -3.027365 -0.057322
H 3.315219 -3.336324 1.666926


