%chk=000291165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291165

0 1
O -1.688919 -2.338952 -0.923237
N 0.531319 -0.762429 -0.369594
N -0.758232 -0.375865 -0.080307
C 2.911685 -0.565196 -0.475458
C 3.630796 0.490698 -1.340399
C 2.274552 2.376497 -0.322859
C 3.686994 1.870957 -0.675973
C 1.554336 1.349624 0.579700
C 3.735242 -0.978159 0.776793
C 1.550969 -0.008165 -0.076063
C 2.339054 3.743102 0.364998
C 2.917301 -1.901089 1.687386
C 5.034391 -1.676684 0.353402
C -1.823877 -1.253100 -0.415144
C -3.149381 -0.642135 -0.045140
C -3.970273 -0.128145 -1.055761
C -3.570706 -0.635042 1.289714
C -5.218977 0.405824 -0.723606
C -4.821578 -0.102018 1.614411
C -5.643413 0.419594 0.609342
H 2.760011 -1.484581 -1.102482
H 3.111153 0.565451 -2.316396
H 4.657095 0.143818 -1.570980
H 1.687705 2.479835 -1.269525
H 4.313292 1.825737 0.235448
H 4.186198 2.591166 -1.350446
H 0.535078 1.707986 0.813239
H 2.072571 1.274825 1.558776
H 4.000439 -0.054997 1.348376
H 2.827883 4.486618 -0.275077
H 1.339354 4.124417 0.598683
H 2.902522 3.703470 1.303794
H 2.508703 -2.755902 1.132287
H 3.526065 -2.301083 2.504128
H 2.064306 -1.380544 2.134726
H 4.833923 -2.609848 -0.185477
H 5.647289 -1.931168 1.224664
H 5.640697 -1.040607 -0.301194
H -0.957007 0.546387 0.325083
H -3.640649 -0.153679 -2.095134
H -2.932638 -1.052665 2.068518
H -5.863256 0.805722 -1.505449
H -5.157699 -0.097867 2.650235
H -6.618419 0.833294 0.864898


%chk=000291165-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291165

0 1
O -1.769574 -1.994945 -1.499438
N 0.553776 -0.745626 -0.514009
N -0.739187 -0.322677 -0.203990
C 2.958562 -0.555600 -0.489654
C 3.697052 0.557559 -1.296072
C 2.312272 2.405158 -0.175783
C 3.732277 1.912283 -0.549939
C 1.562599 1.301970 0.636566
C 3.763796 -1.073734 0.756887
C 1.581035 -0.025391 -0.109388
C 2.349011 3.734560 0.606049
C 2.914598 -2.057023 1.597977
C 5.082688 -1.758417 0.323028
C -1.850943 -1.028606 -0.693178
C -3.176934 -0.505732 -0.191444
C -4.316921 -0.739025 -1.002920
C -3.337843 0.157174 1.054838
C -5.589621 -0.291761 -0.592627
C -4.614268 0.599881 1.467658
C -5.741503 0.384297 0.641800
H 2.789689 -1.428082 -1.150487
H 3.167784 0.693826 -2.260519
H 4.723707 0.231954 -1.544911
H 1.748673 2.563419 -1.119967
H 4.341081 1.827749 0.374157
H 4.228823 2.674300 -1.182257
H 0.542611 1.664185 0.872756
H 2.079585 1.177446 1.610584
H 4.027294 -0.207452 1.400204
H 2.859026 4.523029 0.022336
H 1.330296 4.095932 0.842267
H 2.896387 3.614712 1.560919
H 2.584557 -2.914146 0.981483
H 3.502083 -2.449674 2.448655
H 2.004284 -1.578849 2.002240
H 4.874324 -2.612415 -0.349749
H 5.622354 -2.150176 1.205297
H 5.765644 -1.068571 -0.203684
H -0.904715 0.539843 0.329460
H -4.178235 -1.281658 -1.943771
H -2.485128 0.289402 1.732321
H -6.462564 -0.471572 -1.229583
H -4.731620 1.098997 2.435927
H -6.730913 0.728559 0.962863


