%chk=000205918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205918

0 1
O 0.125176 1.299361 1.273966
O 3.550720 -1.736138 0.071045
O -0.749718 -2.501476 -1.203004
N -0.365623 -0.531208 -0.012937
N 1.402809 -2.092141 -0.551039
C 2.033392 0.107052 0.444202
C 2.606442 1.121514 -0.574929
C 0.548984 0.368252 0.633658
C 2.640616 2.548309 -0.013106
C 2.430667 -1.286169 0.004161
C 0.020151 -1.756298 -0.642511
C -1.795424 -0.209621 0.002333
C 3.124606 3.542479 -1.063522
C -2.219724 1.024713 -0.511746
C -2.707050 -1.136111 0.529266
C -3.583103 1.329540 -0.489867
C -4.066502 -0.813401 0.535339
C -4.505169 0.414924 0.029849
H 2.529653 0.293655 1.443524
H 2.016080 1.089876 -1.511846
H 3.637356 0.809696 -0.852020
H 3.300074 2.590608 0.876889
H 1.632942 2.843752 0.352144
H 1.668220 -3.018317 -0.927875
H 4.134118 3.304018 -1.418727
H 2.464370 3.568126 -1.938228
H 3.157383 4.559904 -0.653765
H -1.500791 1.741044 -0.905666
H -2.367252 -2.098241 0.910659
H -3.926660 2.286943 -0.881143
H -4.786582 -1.526190 0.937168
H -5.566259 0.659445 0.040730


%chk=000205918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205918

0 1
O 0.129649 1.162831 1.514942
O 3.610793 -1.788580 0.113849
O -0.737742 -2.440996 -1.365108
N -0.343077 -0.543609 -0.017501
N 1.421405 -2.057665 -0.603752
C 2.047457 0.060068 0.498381
C 2.579831 1.114519 -0.548636
C 0.556662 0.270026 0.742271
C 2.577101 2.565609 -0.021907
C 2.443793 -1.328753 0.023027
C 0.054978 -1.717195 -0.716470
C -1.767105 -0.214296 -0.002540
C 3.092419 3.555802 -1.088955
C -2.192872 1.007666 -0.565108
C -2.692467 -1.107599 0.577087
C -3.564452 1.339933 -0.544896
C -4.063716 -0.772547 0.587004
C -4.501918 0.450387 0.028853
H 2.569351 0.254641 1.451362
H 1.980955 1.043167 -1.479146
H 3.614571 0.814570 -0.802248
H 3.217631 2.622099 0.880389
H 1.560944 2.853255 0.304283
H 1.675853 -2.953861 -1.032523
H 4.120808 3.303758 -1.409028
H 2.448278 3.547522 -1.988474
H 3.105435 4.587743 -0.694712
H -1.460249 1.691725 -1.005360
H -2.347708 -2.054347 1.004060
H -3.899308 2.288662 -0.977405
H -4.786937 -1.464892 1.030630
H -5.566461 0.708259 0.040633


