%chk=000276158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276158

0 1
O -4.562725 -0.021083 -2.766698
O -2.610858 -0.519612 -3.743309
O 1.853985 2.754306 0.918606
O -2.499652 -0.652270 0.955497
O 0.519316 1.467428 2.268089
N -1.518766 -0.255228 -1.058804
N -0.061137 3.677654 1.660460
N 2.899362 -4.188505 1.447420
C -2.279519 2.041048 -1.816272
C -1.509474 2.745803 -0.693309
C -2.645546 0.577325 -1.503662
C -2.185642 2.652331 0.677453
C -1.540528 3.538273 1.758170
C -3.190176 -0.055615 -2.791981
C -1.552538 -0.860161 0.214123
C -0.392291 -1.731533 0.525401
C 0.705443 2.503109 1.671352
C -0.053228 -2.813656 -0.301440
C 0.336857 -1.492604 1.701641
C 1.759768 -3.395507 1.207900
C 1.009024 -3.645657 0.029413
C 1.409659 -2.310023 2.042591
C 2.701597 1.608113 0.611989
C 2.287376 1.056835 -0.725136
C 2.277055 -0.326016 -0.947025
C 1.912775 1.932421 -1.755949
C 3.481281 -4.239637 2.808283
C 1.886457 -0.828594 -2.192444
C 1.513173 1.425165 -2.994129
C 1.498080 0.043172 -3.213894
H -3.217229 2.593498 -2.034967
H -1.669868 2.091149 -2.743449
H -0.488922 2.308614 -0.638561
H -1.374607 3.808853 -0.976674
H -3.456834 0.549860 -0.709348
H -2.176540 1.592400 1.027875
H -3.258579 2.914552 0.596173
H -1.963327 4.566855 1.730475
H -1.777491 3.115138 2.765012
H -0.683864 -0.271981 -1.644792
H 0.253550 4.400630 1.004860
H -0.633477 -3.008985 -1.205797
H 0.060752 -0.648260 2.349128
H -4.979359 -0.426210 -3.573457
H 1.260549 -4.483572 -0.613824
H 1.965463 -2.107577 2.953790
H 3.709353 2.066128 0.585795
H 2.636078 0.867069 1.432545
H 2.917229 -5.091200 0.972606
H 2.559385 -1.018041 -0.150714
H 1.932871 3.007847 -1.578312
H 4.354907 -4.912363 2.806942
H 3.841630 -3.237415 3.103569
H 2.771467 -4.588492 3.577323
H 1.882845 -1.905476 -2.360578
H 1.219381 2.105024 -3.792020
H 1.185108 -0.351725 -4.179937


%chk=000276158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276158

0 1
O -6.113544 0.106058 0.337560
O -5.285218 -1.865936 -0.564254
O 1.766339 3.647679 -0.059022
O -1.180642 0.155561 0.810790
O 0.361304 4.300197 1.735289
N -2.723259 -0.894967 -0.575589
N -0.420382 4.069136 -0.473125
N 2.139114 -5.259509 -0.532222
C -3.912227 1.204806 -1.383252
C -2.756138 2.231420 -1.362137
C -3.781828 0.083075 -0.299567
C -2.706979 3.073093 -0.065383
C -1.835361 4.345698 -0.187087
C -5.096919 -0.682827 -0.196227
C -1.486986 -0.834057 0.062675
C -0.563244 -1.989353 -0.152312
C 0.530905 4.030840 0.517987
C -0.704149 -2.944801 -1.198577
C 0.519823 -2.145574 0.750771
C 1.268383 -4.184124 -0.398679
C 0.191646 -4.016186 -1.325938
C 1.418568 -3.219189 0.644781
C 2.903211 3.484398 0.883759
C 3.673003 2.235941 0.508543
C 3.001132 0.998125 0.337633
C 5.078338 2.287692 0.340658
C 3.268181 -5.510063 0.361698
C 3.727499 -0.164630 0.000359
C 5.808432 1.121237 0.015130
C 5.133117 -0.107833 -0.158857
H -4.869112 1.735465 -1.213485
H -3.970515 0.715943 -2.375488
H -1.791362 1.708297 -1.503153
H -2.893871 2.904399 -2.235318
H -3.562341 0.558603 0.674666
H -2.317624 2.454813 0.763876
H -3.733780 3.397118 0.204921
H -2.232621 5.001906 -0.987043
H -1.865958 4.908065 0.762047
H -3.033466 -1.770393 -1.007133
H -0.131507 3.767909 -1.404110
H -1.498452 -2.843998 -1.948331
H 0.632837 -1.402115 1.547571
H -6.960024 -0.416893 0.372139
H 0.070611 -4.733505 -2.147524
H 2.229782 -3.315005 1.372781
H 3.538654 4.385058 0.805745
H 2.483803 3.435250 1.906903
H 1.972790 -5.912901 -1.295399
H 1.911425 0.951163 0.453126
H 5.603828 3.243775 0.458912
H 3.794457 -6.421730 0.035037
H 3.995931 -4.673760 0.350905
H 2.939127 -5.662600 1.409232
H 3.194123 -1.110874 -0.142645
H 6.895710 1.175034 -0.112414
H 5.695032 -1.011325 -0.423222


