%chk=000296752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296752

0 1
O 1.528536 -1.776261 1.307721
N -1.102202 -1.618739 -0.563068
C -0.600187 -2.949590 -0.123501
C -2.088759 -2.697808 -0.260007
C -1.010487 -0.436090 0.222816
C -2.268164 0.363116 0.267930
C 0.136115 0.054157 0.738723
C -2.938807 0.701650 -0.916441
C -2.777764 0.776953 1.508187
C 1.425113 -0.654754 0.842569
C 2.637920 0.104976 0.399868
C -4.114058 1.455649 -0.857611
C -3.955640 1.526468 1.559439
C -4.623362 1.867351 0.378162
C 2.553365 1.109967 -0.573672
C 3.881615 -0.223867 0.960330
C 3.706681 1.788874 -0.976069
C 5.031669 0.461649 0.561342
C 4.943755 1.467997 -0.406321
H -0.134410 -3.070028 0.865839
H -0.056815 -3.517581 -0.885540
H -2.641626 -3.078726 -1.124193
H -2.722488 -2.640408 0.627229
H 0.158191 1.070913 1.140512
H -2.540057 0.374324 -1.878002
H -2.255289 0.513293 2.427673
H -4.633347 1.722021 -1.777038
H -4.353023 1.846877 2.521368
H -5.539891 2.453800 0.421225
H 1.590020 1.356279 -1.023248
H 3.938877 -1.022654 1.704113
H 3.642117 2.567153 -1.734177
H 5.995119 0.208894 1.000282
H 5.840680 2.001247 -0.719239


%chk=000296752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296752

0 1
O 1.592539 -1.893257 -0.402501
N -1.324610 -1.927272 -0.225838
C -0.745489 -3.101442 0.444330
C -2.259665 -2.831198 0.491482
C -1.098278 -0.571012 -0.047498
C -2.328623 0.281607 -0.036014
C 0.166553 0.016735 0.021411
C -3.455788 -0.068866 -0.829541
C -2.397469 1.453750 0.764920
C 1.461461 -0.649961 -0.103356
C 2.712513 0.182997 0.094998
C -4.611353 0.740430 -0.833594
C -3.556228 2.259026 0.764131
C -4.667888 1.907696 -0.036562
C 2.718351 1.462492 0.713754
C 3.947339 -0.369736 -0.338884
C 3.927385 2.171371 0.887464
C 5.153917 0.339428 -0.173335
C 5.148377 1.615527 0.440125
H -0.165461 -2.924944 1.356001
H -0.342686 -3.875715 -0.213010
H -2.930713 -3.426312 -0.136972
H -2.695189 -2.473335 1.433085
H 0.173612 1.109057 0.056262
H -3.405222 -0.958419 -1.465828
H -1.551904 1.719198 1.408736
H -5.464452 0.464724 -1.463343
H -3.594925 3.155010 1.393515
H -5.566494 2.534425 -0.038080
H 1.787116 1.903411 1.085237
H 3.925478 -1.363223 -0.798962
H 3.918598 3.153686 1.373260
H 6.097264 -0.097465 -0.519824
H 6.085328 2.168687 0.571629


