%chk=000245693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245693

0 1
O -0.176076 2.124253 -0.414443
O -3.867818 0.105678 0.434896
N 1.743888 0.929633 -0.050516
N -1.802885 -0.290197 -0.397487
N 1.725610 -1.451144 0.189458
N -0.267984 -2.686129 0.114448
C -0.388935 -0.259299 -0.194616
C 0.288410 1.017283 -0.242024
C 0.324210 -1.452081 0.019808
C 2.371142 -0.290631 0.150914
C 2.546038 2.175075 -0.078588
C -2.680940 -0.022553 0.673453
H 3.468051 -0.309233 0.286417
H 3.282315 2.158541 -0.898007
H 3.061839 2.340431 0.880762
H 1.872392 3.044741 -0.251205
H -2.119488 -0.102594 -1.350245
H 0.296885 -3.517592 0.206716
H -1.248607 -2.799580 -0.094831
H -2.235545 -0.019300 1.677689


%chk=000245693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245693

0 1
O -0.113660 2.224384 -0.636229
O -4.026804 -0.297759 0.292944
N 1.812929 0.962968 -0.083050
N -1.780565 0.060277 -0.250104
N 1.656580 -1.381314 0.395049
N -0.349303 -2.556192 0.266411
C -0.379877 -0.102661 -0.061225
C 0.392129 1.108673 -0.280579
C 0.273578 -1.326892 0.190499
C 2.350164 -0.259569 0.261722
C 2.671769 2.156543 -0.256753
C -2.804094 -0.544484 0.471500
H 3.432475 -0.291683 0.422788
H 3.361619 2.018922 -1.106628
H 3.246103 2.355485 0.663604
H 2.003700 3.005896 -0.467203
H -2.041045 0.880840 -0.816225
H 0.248505 -3.367579 0.412804
H -1.322575 -2.687721 0.004846
H -2.439125 -1.262832 1.238426


