%chk=000216012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216012

0 1
O 2.034367 2.614270 -0.194529
O 3.050189 -2.747676 -0.677318
N 1.070089 -0.615869 0.531924
N -0.557976 0.841464 -0.435648
N -1.772001 1.217953 -0.647463
N -4.158461 0.871235 -0.696864
N -5.136489 1.014788 0.337586
C 2.132726 0.185208 -0.144129
C 2.383516 1.498017 0.642332
C 1.467474 -1.998940 0.891785
C -0.268967 -0.361705 0.213212
C 3.857839 1.714097 0.958364
C 1.665002 -2.925778 -0.318688
C -1.343355 -1.206527 0.620327
C -2.642855 -0.800023 0.371337
C -2.847043 0.441572 -0.280203
H 3.061204 -0.426616 -0.226884
H 1.854587 0.439828 -1.194523
H 1.756366 1.545731 1.561387
H 0.726582 -2.432742 1.599159
H 2.436562 -1.935161 1.452194
H 1.019932 -2.659086 -1.173548
H 1.511647 -3.986664 -0.049572
H 4.003062 2.691515 1.439968
H 4.463384 1.735016 0.042643
H 4.252913 0.940677 1.622213
H -1.146247 -2.151232 1.122435
H 1.083344 2.565375 -0.457578
H -3.490448 -1.424463 0.649842
H 3.231586 -3.151437 -1.548549
H -4.114970 1.777184 -1.210129
H -4.732587 1.183346 1.264026
H -5.661973 0.135443 0.395890


%chk=000216012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216012

0 1
O 1.676051 2.544197 0.612700
O 2.823000 -2.869719 -0.804391
N 1.114629 -0.650510 0.364876
N -0.453670 1.057702 -0.072716
N -1.718498 1.533454 -0.262936
N -4.036077 1.279186 -0.316971
N -5.257387 0.640160 -0.118540
C 2.214909 0.225779 -0.125470
C 2.584528 1.418573 0.802849
C 1.473651 -1.942121 0.967536
C -0.215009 -0.268923 0.238971
C 4.007608 1.922770 0.510037
C 1.597385 -3.110371 -0.027857
C -1.320970 -1.167311 0.421544
C -2.618994 -0.683177 0.260807
C -2.787631 0.688939 -0.101292
H 3.087787 -0.431488 -0.272469
H 1.929978 0.639455 -1.112691
H 2.534988 1.057493 1.858076
H 0.740082 -2.211911 1.750872
H 2.450090 -1.832848 1.474006
H 0.704909 -3.151927 -0.686573
H 1.674103 -4.064560 0.538539
H 4.193338 2.838157 1.097039
H 4.114057 2.181550 -0.559521
H 4.770186 1.166240 0.775795
H -1.160825 -2.219789 0.668542
H 0.785701 2.157332 0.288785
H -3.487399 -1.334877 0.392887
H 2.873165 -3.496175 -1.568084
H -4.043275 2.275248 -0.544982
H -5.516251 0.426302 0.847548
H -5.545161 -0.028030 -0.835915


