%chk=000279025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279025

0 1
O -1.472933 2.365284 0.973778
O -4.615958 -1.882647 -0.665839
N 0.568796 -0.301634 0.292258
N 3.964165 0.623246 -1.067547
N 4.111987 -1.155353 0.630924
N -0.241186 0.384564 -0.372166
N 6.038058 -0.340567 -0.471755
C 1.956476 -0.219462 0.006841
C 2.614424 0.653395 -0.914142
C 2.766721 -1.117032 0.778822
C -1.641146 0.254001 -0.044278
C -2.312464 1.341986 0.574435
C -2.373358 -0.861336 -0.469004
C -3.763493 -0.862111 -0.292241
C -3.702537 1.317961 0.745076
C -4.436321 0.216306 0.308855
C 1.891033 1.644038 -1.749797
C 2.183596 -2.053613 1.778042
C 4.677101 -0.285796 -0.298134
C -2.077731 3.497594 1.640734
C -4.035467 -3.043317 -1.305539
H -1.855856 -1.699245 -0.927612
H -4.221122 2.150279 1.214824
H -5.517239 0.175701 0.427165
H 2.567743 2.260621 -2.361275
H 1.176685 1.147885 -2.430261
H 1.279555 2.323242 -1.126962
H 2.951543 -2.640165 2.306044
H 1.593268 -1.505889 2.532498
H 1.487152 -2.759641 1.297561
H 6.599582 -0.953308 0.097678
H 6.496547 0.299045 -1.101028
H -2.558039 3.183243 2.571533
H -2.774663 4.008951 0.970926
H -1.199735 4.124742 1.845701
H -3.554831 -2.759916 -2.246305
H -4.922432 -3.663769 -1.489020
H -3.340621 -3.545082 -0.626092


%chk=000279025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279025

0 1
O -1.726246 2.871625 0.240078
O -4.330349 -2.135215 0.219935
N 0.510429 -0.459724 -0.030937
N 4.070345 0.799599 -0.224804
N 3.969296 -1.653950 -0.302874
N -0.181828 0.658636 0.052995
N 6.004063 -0.502906 -0.402037
C 1.913318 -0.336448 -0.119415
C 2.711244 0.871223 -0.130634
C 2.615284 -1.593509 -0.209406
C -1.590160 0.462235 0.138775
C -2.395724 1.643896 0.237433
C -2.217577 -0.817064 0.130735
C -3.615705 -0.924027 0.219697
C -3.807802 1.515113 0.326633
C -4.412142 0.247010 0.318125
C 2.141669 2.261744 -0.043651
C 1.880425 -2.912891 -0.205614
C 4.636150 -0.449686 -0.306696
C -2.541858 4.085600 0.339324
C -3.545772 -3.367258 0.119616
H -1.556411 -1.684551 0.052581
H -4.443464 2.401323 0.403117
H -5.498875 0.138872 0.385925
H 2.970785 2.986256 -0.076073
H 1.421979 2.450209 -0.859558
H 1.542841 2.390975 0.875162
H 2.612962 -3.731961 -0.270678
H 1.274527 -3.023444 0.710716
H 1.176881 -2.972958 -1.054736
H 6.460512 -1.409215 -0.465783
H 6.532779 0.365591 -0.408637
H -3.117588 4.110408 1.285056
H -3.233264 4.180159 -0.520672
H -1.817764 4.913134 0.324948
H -2.969940 -3.401302 -0.825956
H -4.284039 -4.182460 0.135648
H -2.851680 -3.472840 0.976358


