%chk=000239271.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239271

0 1
O 0.185114 2.767249 0.000083
O -3.954490 0.822460 0.001505
N 0.113694 0.449715 0.000395
N -1.901429 1.782102 0.001171
N -3.399880 -2.833475 0.001108
C 1.623696 0.372720 -0.000303
C 2.116330 -0.333646 1.275283
C 2.115153 -0.333583 -1.276392
C 3.650576 -0.395209 1.266770
C 3.649408 -0.395142 -1.269315
C 4.177624 -1.079780 -0.001535
C -0.659007 -0.697229 0.000607
C -0.495604 1.763631 0.000663
C -2.031799 -0.649605 0.001150
C -2.765244 0.620528 0.001856
C -2.792410 -1.849112 0.001127
H 1.999150 1.438091 -0.000442
H 1.704568 -1.357313 1.353064
H 1.763393 0.207463 2.174990
H 1.761375 0.207554 -2.175751
H 1.703339 -1.357256 -1.353844
H 4.005152 -0.937214 2.164775
H 4.070435 0.627214 1.346533
H 4.069190 0.627286 -1.349408
H 4.003155 -0.937095 -2.167674
H 5.284647 -1.067770 -0.002047
H 3.887053 -2.148225 -0.001432
H -0.123873 -1.662268 0.000191
H -2.354016 2.711209 0.001073


%chk=000239271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239271

0 1
O 0.211945 2.815807 0.000438
O -4.018612 0.836681 0.001874
N 0.104936 0.455265 0.000259
N -1.875577 1.762694 0.001300
N -3.444727 -2.883270 0.001079
C 1.605270 0.351322 -0.000410
C 2.122869 -0.341437 1.283132
C 2.121725 -0.341587 -1.284326
C 3.670410 -0.391918 1.275721
C 3.669274 -0.392059 -1.278270
C 4.208376 -1.079934 -0.001475
C -0.682747 -0.673763 0.000405
C -0.475719 1.762223 0.000699
C -2.070506 -0.645780 0.000985
C -2.774974 0.651971 0.001642
C -2.823050 -1.861129 0.000973
H 1.951228 1.401331 -0.000618
H 1.728287 -1.376735 1.343868
H 1.756352 0.202655 2.173603
H 1.754420 0.202394 -2.174540
H 1.727105 -1.376899 -1.344588
H 4.026207 -0.922148 2.178826
H 4.070339 0.640747 1.333341
H 4.069142 0.640604 -1.336360
H 4.024279 -0.922384 -2.181630
H 5.314445 -1.065378 -0.001970
H 3.902464 -2.146505 -0.001281
H -0.153504 -1.629486 -0.000017
H -2.314357 2.690016 0.001542


