%chk=000225246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225246

0 1
O -0.694986 2.107309 1.546891
O 0.696712 2.058452 -1.635668
O -3.829492 2.512757 -1.826402
O 3.823850 2.604225 1.724542
N -1.182940 -0.954794 1.391715
N 1.190582 -0.994441 -1.357950
N -2.682016 -1.815211 -0.112250
N 2.687707 -1.791038 0.182653
N -3.398414 0.379698 -1.087169
N 3.396566 0.442334 1.071759
N -2.241468 2.312983 -0.147712
N 2.240895 2.334600 0.050885
C -0.050590 -3.945732 0.838523
C 0.071757 -3.971651 -0.692308
C -1.441570 -3.497314 1.311191
C 1.459907 -3.531214 -1.180358
C -1.762146 -2.108907 0.878942
C 1.771905 -2.125961 -0.799204
C -1.743307 0.133362 0.697834
C 1.745826 0.121694 -0.705517
C -2.671895 -0.432385 -0.219668
C 2.673283 -0.405104 0.236008
C -1.469745 1.548141 0.791884
C 1.470841 1.531181 -0.857355
C -0.154837 -0.834761 2.426860
C 0.163727 -0.917807 -2.398450
C -3.196188 1.797435 -1.073557
C 3.192954 1.858082 1.000105
C -4.436694 -0.205404 -1.969223
C 4.429583 -0.106332 1.982912
C -1.911778 3.759718 -0.283544
C 1.912791 3.786179 0.124330
H 0.724709 -3.284385 1.280746
H 0.165243 -4.952093 1.248793
H -0.137718 -4.992915 -1.067628
H -0.707599 -3.330994 -1.157042
H -2.220880 -4.187940 0.908584
H -1.514797 -3.582715 2.416573
H 2.243483 -4.201693 -0.752654
H 1.534306 -3.656411 -2.281883
H 0.763566 -1.384557 2.139453
H 0.123901 0.235006 2.575552
H -0.518507 -1.223683 3.394037
H -0.110991 0.145137 -2.595733
H 0.526536 -1.351738 -3.346583
H -0.757038 -1.450298 -2.087265
H -4.803072 0.559226 -2.681600
H -5.290342 -0.570383 -1.370984
H -4.019812 -1.056489 -2.535221
H 4.814638 0.693817 2.644686
H 5.272132 -0.523886 1.403542
H 4.000961 -0.912577 2.603044
H -1.686735 4.184799 0.710443
H -2.759458 4.311260 -0.728573
H -1.025501 3.879726 -0.936300
H 2.761934 4.355550 0.543445
H 1.028100 3.935808 0.772793
H 1.686423 4.167936 -0.886826


%chk=000225246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225246

0 1
O -2.839578 2.147819 2.405493
O 2.841120 2.064981 -2.495080
O -5.296020 2.153508 -1.621009
O 5.291041 2.240340 1.531454
N -2.182811 -0.837882 1.726058
N 2.192083 -0.892689 -1.696955
N -2.991600 -1.819908 -0.172630
N 2.998537 -1.794488 0.242084
N -4.218838 0.155147 -1.024820
N 4.219109 0.216845 1.015760
N -4.060072 2.120464 0.371569
N 4.058876 2.123121 -0.460163
C -0.053408 -3.322428 0.832270
C 0.070815 -3.351076 -0.706078
C -1.534047 -3.271309 1.317942
C 1.551032 -3.310035 -1.193858
C -2.240859 -1.997810 0.958310
C 2.251387 -2.020350 -0.882657
C -2.941554 0.136065 1.052984
C 2.946486 0.109880 -1.062179
C -3.418268 -0.502562 -0.102564
C 3.421994 -0.479927 0.119517
C -3.233771 1.507416 1.378508
C 3.235436 1.467748 -1.442443
C -1.488191 -0.645692 3.012978
C 1.498292 -0.753887 -2.991232
C -4.569501 1.509863 -0.811348
C 4.567365 1.562496 0.747586
C -4.715420 -0.547306 -2.223094
C 4.713906 -0.434561 2.243216
C -4.439193 3.539918 0.562512
C 4.435242 3.534436 -0.708405
H 0.511471 -2.461920 1.238087
H 0.421071 -4.229900 1.254931
H -0.398777 -4.276322 -1.094228
H -0.498659 -2.509450 -1.143902
H -2.098316 -4.102719 0.859378
H -1.561231 -3.418514 2.414548
H 2.119848 -4.121056 -0.705333
H 1.578596 -3.497567 -2.284248
H -0.407808 -0.839443 2.902073
H -1.642105 0.397504 3.329614
H -1.901748 -1.323047 3.780511
H 1.643970 0.278275 -3.345755
H 1.919145 -1.454975 -3.733088
H 0.419455 -0.952792 -2.874740
H -5.333319 0.162755 -2.791559
H -5.314836 -1.424184 -1.926428
H -3.868608 -0.892787 -2.839892
H 5.336537 0.296505 2.778943
H 5.307688 -1.327071 1.984421
H 3.866522 -0.747577 2.876462
H -3.964433 3.883104 1.493095
H -5.535409 3.633584 0.630370
H -4.093683 4.140411 -0.294494
H 5.531536 3.628271 -0.774148
H 4.083465 4.169550 0.120692
H 3.964338 3.836827 -1.654936


