%chk=000277224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277224

0 1
O -4.407290 -0.781045 0.745346
O -2.960120 -2.420547 0.151822
O 4.353236 0.209226 -1.410494
N 2.235175 -1.167085 -0.333101
N 3.524153 -1.443394 0.073584
N -2.380275 0.431458 -2.631677
N 5.839992 -0.929199 -0.078096
C -0.904598 -0.232272 0.500984
C -0.136157 -1.293075 -0.308320
C -2.346405 -0.030443 -0.062236
C -0.219030 1.117941 0.565234
C 1.199678 -1.612485 0.320359
C -0.427694 1.920425 1.700403
C 0.599780 1.587168 -0.469074
C -3.213838 -1.247184 0.254888
C 1.196084 -2.399545 1.595121
C -2.364161 0.216781 -1.497494
C 0.177282 3.175086 1.794482
C 1.209501 2.842274 -0.367774
C 0.998064 3.638936 0.760117
C -5.415954 -1.773527 1.084543
C 4.534322 -0.636965 -0.565474
H -1.014009 -0.620120 1.550010
H 0.003874 -0.955176 -1.362204
H -0.740952 -2.227355 -0.383828
H -2.799796 0.875273 0.451569
H -1.058463 1.568399 2.513576
H 0.790343 0.970232 -1.351859
H 1.581678 -1.808506 2.437330
H 0.186373 -2.732637 1.876244
H 1.803314 -3.312349 1.509443
H 0.011894 3.792963 2.675092
H 1.857620 3.190295 -1.172967
H 1.472486 4.615457 0.835945
H 3.698794 -1.750232 1.040107
H -4.987884 -2.537940 1.740660
H -6.177946 -1.172589 1.593323
H -5.798180 -2.220017 0.160927
H 6.058034 -1.850825 0.269395
H 6.596577 -0.524702 -0.622407


%chk=000277224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277224

0 1
O -4.377437 -1.249672 -0.054846
O -2.962518 -1.846075 1.692099
O 4.396881 -0.561794 -2.077734
N 2.153909 -1.209610 -0.505157
N 3.452507 -1.501242 -0.117234
N -2.669933 0.763452 -2.276237
N 5.762820 -1.575526 -0.482007
C -0.905193 -0.046418 0.720621
C -0.220783 -1.139124 -0.149704
C -2.415415 0.126984 0.299893
C -0.201378 1.314576 0.740820
C 1.173056 -1.493350 0.327085
C -0.398845 2.162450 1.863313
C 0.605710 1.780039 -0.327413
C -3.247807 -1.103160 0.725778
C 1.345649 -2.131097 1.697721
C -2.578686 0.466411 -1.125336
C 0.182936 3.447442 1.917444
C 1.191235 3.065618 -0.274514
C 0.980521 3.905125 0.842300
C -5.280981 -2.376507 0.300958
C 4.523213 -1.165808 -0.983948
H -0.962973 -0.422446 1.761143
H -0.160476 -0.820331 -1.204341
H -0.854978 -2.048073 -0.113961
H -2.820892 0.978160 0.887229
H -1.006934 1.808576 2.707596
H 0.803637 1.141947 -1.193430
H 1.868401 -1.453496 2.403813
H 0.367312 -2.380019 2.139549
H 1.929187 -3.072847 1.640527
H 0.019956 4.086080 2.793036
H 1.816826 3.405037 -1.107121
H 1.436158 4.901052 0.878279
H 3.655281 -1.900710 0.808211
H -5.654388 -2.250391 1.330628
H -6.096163 -2.316392 -0.432020
H -4.738447 -3.332708 0.219878
H 5.887737 -2.139941 0.355833
H 6.576795 -1.343512 -1.045252


