%chk=000294591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294591

0 1
S -1.847527 -0.018689 -0.519524
O -4.754132 1.439118 -1.391007
O -4.330119 1.423190 0.811952
N 1.805949 0.643345 1.244164
N -5.614841 -1.275803 0.274544
C -0.268330 1.783217 0.700266
C -1.352607 0.775359 1.048950
C 1.012151 1.104752 0.276207
C -3.082675 -1.242860 0.004420
C -4.449461 -0.715184 -0.446559
C 3.383127 -0.143681 -0.472318
C 2.995121 0.013750 0.888290
C 1.338035 0.984727 -1.120502
C 2.506396 0.366604 -1.481202
C 4.617480 -0.797780 -0.769705
C 3.844232 -0.482450 1.931910
C -4.482671 0.798623 -0.212303
C 5.414108 -1.265335 0.245801
C 5.022463 -1.105189 1.608902
H -0.068745 2.415771 1.599616
H -0.613082 2.494608 -0.079892
H -0.981332 0.020169 1.768003
H -2.232710 1.275767 1.510042
H -3.037500 -1.416037 1.094696
H -2.843549 -2.209678 -0.477733
H -4.596804 -0.909163 -1.549286
H 0.646330 1.374377 -1.864350
H 2.784836 0.252761 -2.529036
H 4.909133 -0.915990 -1.812323
H 3.523791 -0.347465 2.965711
H 6.357024 -1.765391 0.030423
H 5.680762 -1.488570 2.388265
H -5.531786 -1.153511 1.281170
H -5.724300 -2.266133 0.082011
H -4.791966 2.428671 -1.293003


%chk=000294591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294591

0 1
S -1.760458 -0.347970 -0.569202
O -5.458550 1.385002 -1.117901
O -4.466027 1.339663 0.982781
N 1.878650 0.592892 1.129594
N -5.695530 -1.528505 0.169319
C -0.167064 1.747580 0.466934
C -1.221298 0.715560 0.917519
C 1.168693 1.115428 0.105793
C -3.237325 -1.255038 0.197283
C -4.568821 -0.751044 -0.382619
C 3.641773 -0.083882 -0.489244
C 3.100402 -0.006047 0.853386
C 1.633084 1.078575 -1.254197
C 2.859761 0.483237 -1.547179
C 4.911444 -0.712909 -0.698840
C 3.850959 -0.560986 1.939438
C -4.760595 0.746771 -0.083091
C 5.621671 -1.246951 0.379013
C 5.086783 -1.169808 1.705759
H -0.003043 2.437053 1.316943
H -0.559777 2.341302 -0.378472
H -0.790000 0.047743 1.681614
H -2.127242 1.212224 1.302107
H -3.195619 -1.096008 1.288678
H -3.129866 -2.328539 -0.018611
H -4.566636 -0.880370 -1.477367
H 1.011599 1.511263 -2.044292
H 3.231814 0.440683 -2.577699
H 5.317168 -0.770475 -1.716420
H 3.421470 -0.489026 2.943501
H 6.592160 -1.728200 0.215260
H 5.655461 -1.593420 2.541014
H -5.829175 -1.429028 1.180224
H -6.567254 -1.470954 -0.363252
H -5.641810 2.330085 -0.861174


