%chk=000213829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213829

0 1
O -1.249618 1.821765 -0.787946
O 0.727874 2.728206 -0.180233
N 0.453993 0.370818 -0.360087
N -3.639895 -0.920183 -0.077804
C -1.850673 0.489157 -0.952285
C -0.691485 -0.507890 -0.734039
C -2.969010 0.405957 0.097801
C 0.085640 1.736620 -0.405070
C 1.736518 -0.148146 -0.007505
C -4.776325 -0.821744 -1.041313
C -4.112765 -1.456684 1.232455
C 2.779396 0.733389 0.343570
C 1.955260 -1.539753 -0.012280
C 4.026555 0.215070 0.685909
C 3.215211 -2.033925 0.335168
C 4.252532 -1.166588 0.684609
H -2.236266 0.486052 -1.991443
H -0.918608 -1.240356 0.071935
H -0.463390 -1.083524 -1.655476
H -3.645016 1.281925 -0.015090
H -2.530844 0.502944 1.115453
H -4.408207 -0.440003 -2.006478
H -5.608510 -0.181134 -0.713272
H -5.173528 -1.833891 -1.224783
H -4.554703 -2.453930 1.070623
H -4.856819 -0.832377 1.748796
H -3.247935 -1.593599 1.901735
H 2.618624 1.815999 0.347815
H 1.167976 -2.237218 -0.280487
H 4.833312 0.897011 0.957071
H 3.385457 -3.110572 0.331488
H 5.229349 -1.560195 0.953263


%chk=000213829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213829

0 1
O -1.269648 1.919493 -1.024385
O 0.734201 2.796034 -0.206704
N 0.385997 0.435987 -0.461702
N -3.528449 -0.917978 0.054827
C -1.884555 0.560877 -1.100900
C -0.684279 -0.412635 -1.031457
C -2.860973 0.402901 0.084042
C 0.053997 1.800211 -0.516894
C 1.637072 -0.106142 -0.038489
C -4.625892 -0.990570 -0.935028
C -3.967242 -1.369923 1.393909
C 2.653853 0.712978 0.528266
C 1.868745 -1.502379 -0.181944
C 3.869052 0.130491 0.942243
C 3.091469 -2.067193 0.238395
C 4.100691 -1.257925 0.805044
H -2.408769 0.509100 -2.067698
H -0.937275 -1.267102 -0.380715
H -0.389800 -0.794871 -2.027408
H -3.579732 1.256600 0.067843
H -2.278301 0.485609 1.020896
H -4.258120 -0.733938 -1.943523
H -5.475213 -0.303935 -0.693698
H -5.017834 -2.022119 -0.975048
H -4.366422 -2.397564 1.323331
H -4.761126 -0.722597 1.841864
H -3.106066 -1.385580 2.084531
H 2.488733 1.787382 0.628701
H 1.107322 -2.152611 -0.622225
H 4.642370 0.774132 1.376434
H 3.251605 -3.144656 0.119065
H 5.048689 -1.698878 1.130526


