%chk=000213837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213837

0 1
O -2.213405 1.797140 -0.677945
O -0.353530 2.942097 -0.096832
O 5.056147 -0.603207 0.615089
N -0.300430 0.588641 -0.430807
N -4.144114 -1.304094 -0.049841
C -2.625520 0.404294 -0.907233
C -1.325189 -0.424493 -0.811412
C -3.660921 0.092851 0.184246
C -0.858831 1.882266 -0.362202
C 1.062909 0.240903 -0.171965
C -5.327510 -1.315332 -0.960436
C -4.474321 -1.977105 1.241097
C 1.986598 1.248731 0.201520
C 1.484343 -1.092352 -0.288753
C 3.306878 0.917697 0.453103
C 2.818947 -1.433656 -0.035271
C 3.716273 -0.429793 0.332456
C 5.595148 -1.942271 0.517622
H -3.063136 0.408877 -1.925459
H -1.400856 -1.230135 -0.048198
H -1.068804 -0.902108 -1.780051
H -4.460512 0.865674 0.163085
H -3.185362 0.190195 1.184986
H -5.062926 -0.830214 -1.913042
H -6.225109 -0.820322 -0.560669
H -5.586402 -2.361802 -1.191864
H -4.778283 -3.016530 1.033734
H -5.273760 -1.496567 1.824183
H -3.568236 -2.025956 1.866558
H 1.661278 2.292614 0.291269
H 0.793388 -1.881623 -0.575768
H 4.036628 1.673765 0.741348
H 3.130702 -2.468951 -0.129588
H 6.647378 -1.779312 0.786203
H 5.506864 -2.315292 -0.506578
H 5.105975 -2.603531 1.238214


%chk=000213837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213837

0 1
O -2.280349 1.914844 -0.900489
O -0.392294 3.055240 -0.128068
O 4.963132 -0.716948 0.784844
N -0.380041 0.689741 -0.519576
N -4.000946 -1.311933 0.071457
C -2.674237 0.482564 -1.042619
C -1.333506 -0.288926 -1.084463
C -3.553545 0.096275 0.166034
C -0.923898 1.980993 -0.468783
C 0.966813 0.332225 -0.200631
C -5.131213 -1.499241 -0.864909
C -4.278433 -1.918990 1.392193
C 1.883489 1.274663 0.350566
C 1.408442 -0.995104 -0.430652
C 3.194993 0.883326 0.660113
C 2.729296 -1.387691 -0.117655
C 3.629766 -0.446232 0.432466
C 5.453284 -2.077480 0.561803
H -3.231150 0.402712 -1.989234
H -1.414426 -1.202974 -0.471274
H -1.037851 -0.572493 -2.112775
H -4.399882 0.820110 0.236984
H -2.945772 0.214945 1.082792
H -4.875469 -1.110932 -1.865913
H -6.065487 -0.986384 -0.525752
H -5.348655 -2.576884 -0.969441
H -4.507455 -2.992018 1.262990
H -5.139659 -1.445784 1.925678
H -3.386831 -1.835861 2.037968
H 1.562172 2.303977 0.520933
H 0.733917 -1.741463 -0.860197
H 3.904350 1.601440 1.082586
H 3.033633 -2.420818 -0.309731
H 6.500257 -2.065724 0.898737
H 5.410471 -2.351816 -0.510806
H 4.879383 -2.816258 1.155620


