%chk=000245173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245173

0 1
O 0.961911 2.633804 0.311287
O -1.065907 -1.569602 -2.124237
O -2.271460 2.718401 1.169871
N -0.889510 1.473159 -0.320412
N 0.723218 -0.688788 -1.058797
C -1.559342 0.153179 -0.487567
C 1.312784 0.265056 -0.094340
C -1.945093 -0.442427 0.877102
C 2.765438 0.601667 -0.467624
C 0.476631 1.562277 -0.011377
C -2.753277 -1.759227 0.835835
C -0.644606 -0.779578 -1.296714
C 3.823689 -0.328231 0.162381
C -1.754767 2.667119 -0.156037
C -3.840973 -1.747972 -0.241551
C -1.846454 -2.984138 0.671365
C 3.792391 -0.254656 1.693161
C 3.688477 -1.776955 -0.316888
H -2.490779 0.312050 -1.102771
H 1.286255 -0.195123 0.937934
H -1.042063 -0.590315 1.498432
H -2.548213 0.327676 1.413734
H 2.888780 0.619168 -1.568412
H 2.981038 1.649287 -0.144821
H -3.258525 -1.843661 1.834825
H 1.367938 -1.256329 -1.609291
H 4.823232 0.052514 -0.178883
H -2.665703 2.582105 -0.785804
H -1.168347 3.585741 -0.379709
H -3.407016 -1.791079 -1.252302
H -4.471991 -0.856852 -0.176822
H -4.496132 -2.621437 -0.147521
H -1.011393 -2.976935 1.376516
H -1.429785 -3.049989 -0.343698
H -2.408109 -3.910837 0.835320
H 3.903390 0.776900 2.047673
H 4.605963 -0.841229 2.134776
H 2.854135 -0.643722 2.104394
H 3.704043 -1.846347 -1.409460
H 2.765274 -2.246455 0.040439
H 4.517699 -2.391504 0.054856
H -1.573842 2.975687 1.813137


%chk=000245173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245173

0 1
O 0.862035 2.657433 0.527886
O -1.007430 -1.625280 -2.217317
O -1.901335 3.037070 1.241263
N -0.909508 1.419710 -0.309798
N 0.751649 -0.631016 -1.067548
C -1.537003 0.083653 -0.529460
C 1.301928 0.300156 -0.058222
C -1.988224 -0.523725 0.838364
C 2.768080 0.687519 -0.381731
C 0.410535 1.555691 0.066937
C -2.839774 -1.828382 0.810454
C -0.586097 -0.804468 -1.347153
C 3.862687 -0.266310 0.177383
C -1.764889 2.621360 -0.143527
C -3.984747 -1.772285 -0.231127
C -1.993401 -3.114294 0.635692
C 3.927388 -0.227762 1.723880
C 3.737583 -1.723288 -0.332491
H -2.426177 0.231733 -1.165302
H 1.282290 -0.179026 0.946414
H -1.091580 -0.689188 1.469625
H -2.572834 0.274401 1.336743
H 2.868872 0.779044 -1.481889
H 2.929169 1.696161 0.040456
H -3.308018 -1.882351 1.816476
H 1.408907 -1.213654 -1.592430
H 4.825987 0.135807 -0.200840
H -2.778656 2.376777 -0.492388
H -1.326070 3.431587 -0.756619
H -3.583808 -1.817014 -1.260200
H -4.589223 -0.850610 -0.124493
H -4.664583 -2.634192 -0.100766
H -1.180208 -3.163405 1.385458
H -1.547448 -3.171154 -0.371590
H -2.627870 -4.010117 0.771622
H 4.047768 0.806869 2.093361
H 4.779796 -0.826445 2.094265
H 3.011456 -0.645674 2.184571
H 3.716346 -1.770419 -1.439216
H 2.824701 -2.213634 0.057734
H 4.598955 -2.328442 0.004658
H -1.008251 3.379568 1.518866


