%chk=000221317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221317

0 1
O 0.553292 1.059382 -2.184245
O 0.932316 2.567886 -0.573111
O -1.759974 1.091333 1.495580
O 1.171497 -3.027625 0.425006
O 1.546253 -1.632620 2.038205
N 1.421272 -1.920864 0.866634
C 0.429303 0.230034 0.045633
C 1.552444 -0.805306 -0.184693
C -0.963016 -0.355369 -0.226232
C 2.934000 -0.202230 -0.107920
C 0.673484 1.429399 -0.858103
C -2.044196 0.337593 0.591038
C 3.762867 -0.257004 -1.238953
C 3.389845 0.414312 1.066386
C -3.458447 0.052557 0.210809
C 5.038345 0.311009 -1.194042
C 4.667001 0.979711 1.104633
C 5.491012 0.930714 -0.024159
C -3.843702 -1.131410 -0.434764
C -4.428409 1.013593 0.541013
C -5.185997 -1.344742 -0.757332
C -5.768831 0.799894 0.210720
C -6.147748 -0.378794 -0.439058
H 0.468996 0.607331 1.115595
H 1.398004 -1.290303 -1.193346
H -1.203242 -0.296501 -1.312619
H -0.993947 -1.442547 0.006695
H 3.417185 -0.737436 -2.153957
H 2.752991 0.441523 1.955177
H 5.681437 0.270150 -2.072418
H 5.018178 1.460764 2.017673
H 6.485681 1.374637 0.007444
H -3.107792 -1.896663 -0.679991
H -4.123873 1.925389 1.063558
H 0.709086 1.819370 -2.807560
H -5.485029 -2.266194 -1.255461
H -6.517438 1.549564 0.464848
H -7.193848 -0.548038 -0.695085


%chk=000221317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221317

0 1
O 0.217883 1.467122 -2.079839
O 1.237920 2.636503 -0.346098
O -1.840497 1.899478 0.304386
O 1.430364 -3.099615 -0.145868
O 1.160918 -1.861023 1.749737
N 1.361494 -1.983949 0.485548
C 0.430952 0.320399 0.036339
C 1.559497 -0.680901 -0.352193
C -0.960530 -0.301496 -0.216616
C 2.984669 -0.188688 -0.146404
C 0.660846 1.611962 -0.750346
C -2.100984 0.685731 0.050709
C 3.900400 -0.271772 -1.223901
C 3.412904 0.343965 1.095561
C -3.513601 0.191362 -0.005415
C 5.228675 0.181701 -1.068155
C 4.741623 0.789845 1.251575
C 5.651920 0.712555 0.171346
C -3.839533 -1.152768 -0.334967
C -4.561665 1.110444 0.277373
C -5.187211 -1.567353 -0.380744
C -5.906007 0.694476 0.234426
C -6.222310 -0.646345 -0.095257
H 0.535208 0.587836 1.100771
H 1.420089 -1.022535 -1.391239
H -1.039489 -0.646928 -1.266235
H -1.092685 -1.189106 0.430523
H 3.573500 -0.688548 -2.184135
H 2.717111 0.403482 1.938893
H 5.929106 0.118710 -1.907848
H 5.066710 1.201245 2.213062
H 6.682390 1.063153 0.295719
H -3.050452 -1.878385 -0.557791
H -4.291050 2.141508 0.528164
H 0.377922 2.318116 -2.569333
H -5.431477 -2.604024 -0.635974
H -6.707340 1.407357 0.456335
H -7.268273 -0.971013 -0.128511


