%chk=000236502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236502

0 1
O -0.000378 1.769606 0.000466
O -6.513373 -2.352288 0.450594
O 6.511690 -2.353452 -0.452442
N -5.207823 -1.865757 0.460261
N 5.206262 -1.866584 -0.461924
C -1.207192 1.071562 0.040613
C 1.206254 1.071295 -0.040071
C -3.747600 -0.029706 0.084989
C 3.746415 -0.030557 -0.085060
C -2.227758 1.753768 0.722631
C 2.227222 1.754126 -0.720875
C -1.423219 -0.143364 -0.617569
C 1.421769 -0.144539 0.616598
C -3.502231 1.192939 0.736062
C 3.501553 1.192995 -0.734625
C -2.706372 -0.693032 -0.584357
C 2.704796 -0.694483 0.583084
C -5.113841 -0.612344 0.106228
C 5.112510 -0.613512 -0.106614
C -6.252827 0.279406 -0.275323
C 6.251648 0.277531 0.276144
H -2.011404 2.697042 1.220568
H 2.011262 2.698095 -1.217664
H -0.617446 -0.644468 -1.150930
H 0.615712 -0.646149 1.149054
H -4.310521 1.701886 1.262514
H 4.310136 1.702424 -1.260162
H -2.901013 -1.645556 -1.082457
H 2.899034 -1.647705 1.080012
H -7.099692 -0.303479 -0.675036
H -6.633888 0.828984 0.597659
H -5.966444 1.014557 -1.038664
H 7.098244 -0.306001 0.675482
H 6.633092 0.827886 -0.596181
H 5.965276 1.011983 1.040161
H -6.387243 -3.315838 0.741017
H 6.385391 -3.316671 -0.743883


%chk=000236502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236502

0 1
O -0.000357 1.849001 0.001002
O -6.648107 -2.308687 -0.651261
O 6.646349 -2.311028 0.648902
N -5.277012 -1.790586 -0.678161
N 5.275386 -1.792610 0.676353
C -1.235410 1.156509 0.004213
C 1.234521 1.156200 -0.002952
C -3.825906 -0.010207 -0.045474
C 3.824718 -0.011225 0.045494
C -2.308548 1.807069 0.647087
C 2.307816 1.807156 -0.645161
C -1.440555 -0.068807 -0.678370
C 1.439359 -0.069881 0.678350
C -3.591697 1.225127 0.619253
C 3.590819 1.224861 -0.617947
C -2.724019 -0.639621 -0.696601
C 2.722677 -0.641037 0.695976
C -5.184695 -0.618764 -0.065892
C 5.183352 -0.620148 0.065268
C -6.349266 0.096426 0.587121
C 6.348089 0.095406 -0.587050
H -2.124316 2.757266 1.156667
H 2.123819 2.757932 -1.153747
H -0.611236 -0.557255 -1.199209
H 0.609913 -0.558659 1.198677
H -4.412025 1.742228 1.126369
H 4.411274 1.742283 -1.124532
H -2.896549 -1.581507 -1.225187
H 2.894975 -1.583519 1.223575
H -7.276311 -0.480130 0.461231
H -6.164179 0.234582 1.668438
H -6.490035 1.098152 0.141537
H 7.274982 -0.481537 -0.461811
H 6.162986 0.234753 -1.668211
H 6.489154 1.096623 -0.140417
H -6.549623 -3.166478 -1.137868
H 6.547659 -3.169291 1.134633


