%chk=000197437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197437

0 1
O 0.423759 0.187982 1.722998
O -2.186819 1.075261 -0.571578
O -0.153934 2.975935 0.108952
O -0.935300 -2.078438 0.346980
O -3.542823 -2.236058 0.376683
O -5.391405 -0.436622 -0.843616
O -4.812569 1.733650 -0.854499
O 3.751357 2.067981 0.540353
O 5.455445 -1.853833 -1.098251
N 2.295637 0.284206 0.317827
N 4.620054 0.096098 -0.297609
C -0.930227 0.146838 1.228335
C -0.864814 0.604332 -0.250670
C 0.241752 1.668841 -0.240310
C -1.629171 -1.215064 1.250987
C 1.189018 1.099078 0.888469
C -3.069484 -0.932184 0.709075
C -3.099225 -0.056479 -0.585300
C -4.462516 0.592802 -0.773317
C 3.594389 0.908628 0.215985
C 2.115246 -1.081148 0.028331
C 3.134295 -1.829592 -0.453688
C 4.471497 -1.297990 -0.666451
H -1.494664 0.869923 1.867615
H -0.591571 -0.229044 -0.945489
H 0.769437 1.799422 -1.212778
H -1.653228 -1.696359 2.252152
H 1.589773 1.900461 1.559670
H -3.710796 -0.493441 1.505352
H -2.850348 -0.695371 -1.472676
H -1.025067 2.984605 0.571436
H -1.490167 -2.885367 0.169069
H -4.471289 -2.189364 0.021220
H 1.106270 -1.494779 0.222347
H 5.550256 0.529479 -0.399973
H 3.005253 -2.885387 -0.698942
H -6.321218 -0.112901 -0.992288


%chk=000197437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197437

0 1
O 0.445973 0.014597 1.850813
O -2.095041 1.087145 -0.565635
O -0.244458 2.855847 0.772131
O -1.068559 -2.175107 0.519272
O -3.773493 -2.136804 0.554248
O -5.304580 -0.585498 -1.089659
O -4.657565 1.632867 -1.393598
O 3.634194 2.163780 0.322410
O 5.440092 -1.755930 -1.497441
N 2.331727 0.205625 0.378186
N 4.500796 0.170964 -0.564037
C -0.941020 0.105202 1.356018
C -0.795580 0.608567 -0.087889
C 0.280336 1.687588 0.070137
C -1.738544 -1.188396 1.365442
C 1.251297 0.972244 1.065931
C -3.136247 -0.841383 0.761945
C -3.009672 -0.065209 -0.611698
C -4.357935 0.475532 -1.074539
C 3.510213 0.934865 0.063271
C 2.200921 -1.153897 0.084229
C 3.197206 -1.861761 -0.542438
C 4.453465 -1.218011 -0.919935
H -1.481863 0.870317 1.948581
H -0.427404 -0.209185 -0.737648
H 0.790348 1.969401 -0.868254
H -1.889305 -1.589775 2.386627
H 1.723287 1.720846 1.721436
H -3.702015 -0.215840 1.482807
H -2.646842 -0.807492 -1.357535
H -1.044638 3.180297 0.283692
H -1.720850 -2.910842 0.371603
H -4.618546 -1.995794 0.045112
H 1.266201 -1.619219 0.411237
H 5.362552 0.673583 -0.800863
H 3.080533 -2.923906 -0.758096
H -6.188183 -0.249118 -1.399465


