%chk=000231013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231013

0 1
O 4.796592 0.030429 -2.146455
O 2.351286 1.443351 0.434590
O -5.915794 -0.169675 -0.174858
N 2.985144 -0.726336 0.081928
C 4.457340 -0.485339 0.244116
C 4.920455 0.554565 -0.818853
C 5.181389 -1.819814 0.021052
C 4.743092 0.070801 1.645549
C 2.023223 0.278603 0.240077
C 0.613032 -0.171826 0.120925
C -0.382010 0.725563 0.225098
C -1.809894 0.421855 0.129055
C -2.304536 -0.888918 0.219271
C -2.722483 1.488152 -0.054517
C -4.550571 -0.079711 -0.061892
C -3.672970 -1.154595 0.126913
C -4.084052 1.251503 -0.154538
C -6.521463 -1.483792 -0.095853
H 4.348247 1.499330 -0.734225
H 6.001438 0.762272 -0.731702
H 6.255898 -1.714821 0.216572
H 4.813010 -2.616746 0.672725
H 5.091937 -2.145929 -1.026086
H 4.209337 1.022197 1.808625
H 5.809482 0.260260 1.797982
H 4.414092 -0.618031 2.430216
H 2.698683 -1.692291 -0.043472
H 3.849031 -0.067539 -2.375956
H 0.433483 -1.228801 -0.053407
H -0.132061 1.786962 0.391309
H -1.613129 -1.719849 0.370281
H -2.348171 2.511931 -0.122600
H -4.032454 -2.175021 0.202348
H -4.798890 2.059044 -0.300329
H -6.328709 -1.932763 0.882586
H -6.166910 -2.115478 -0.915187
H -7.586893 -1.245141 -0.215987


%chk=000231013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231013

0 1
O 4.627827 -0.065921 -2.207416
O 2.362211 1.560233 0.277046
O -6.026173 -0.156887 -0.076532
N 3.039671 -0.678074 0.165361
C 4.514412 -0.462094 0.275033
C 4.996183 0.459716 -0.888294
C 5.179207 -1.850842 0.146491
C 4.866304 0.201922 1.629634
C 2.067797 0.318884 0.205858
C 0.665750 -0.183922 0.140539
C -0.381518 0.696565 0.149805
C -1.815900 0.401561 0.092557
C -2.349136 -0.916591 0.027741
C -2.742107 1.488770 0.099827
C -4.632747 -0.048067 -0.022470
C -3.735929 -1.150186 -0.029300
C -4.127126 1.275663 0.043205
C -6.606815 -1.501542 -0.151195
H 4.595538 1.478807 -0.737171
H 6.099022 0.485906 -0.889131
H 6.267128 -1.762817 0.309816
H 4.783128 -2.556287 0.901904
H 5.019969 -2.262540 -0.866417
H 4.317886 1.151193 1.747186
H 5.951191 0.410085 1.681399
H 4.602432 -0.466502 2.468815
H 2.723815 -1.649360 0.117877
H 3.644910 0.014418 -2.301370
H 0.507125 -1.269802 0.086570
H -0.097605 1.758516 0.206581
H -1.671726 -1.777902 0.022192
H -2.357488 2.514367 0.149749
H -4.108059 -2.177853 -0.077775
H -4.836174 2.108620 0.047775
H -6.348576 -2.100652 0.743263
H -6.275272 -2.031595 -1.064795
H -7.693952 -1.341388 -0.189057


