%chk=000236515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236515

0 1
O 3.756299 -0.771749 0.687593
O 2.456689 1.615043 1.024453
O 2.330901 -2.913860 -0.659482
O -2.086065 0.655591 -1.687044
O -5.498652 -0.590712 0.943774
N -2.519718 -1.225057 -0.478762
N -4.545281 1.119277 -0.223073
N -5.147795 2.148824 0.544382
C -0.224205 -0.389332 -0.558705
C 2.465464 -0.589665 0.222596
C 1.732671 0.610987 0.431906
C 1.812707 -1.679043 -0.389262
C 0.393952 0.716255 0.039225
C 0.455367 -1.580217 -0.777357
C -1.659366 -0.244057 -0.977241
C -3.950257 -1.209013 -0.821760
C -4.730503 -0.229308 0.066538
C 4.722270 0.205839 0.209742
C 1.794468 2.889307 1.239757
C 3.720855 -3.176633 -0.327092
H -0.167639 1.637568 0.175807
H -0.011124 -2.437783 -1.259880
H -2.216501 -1.916102 0.201825
H -4.383989 -2.228101 -0.683673
H -4.086264 -0.940437 -1.899719
H 5.657727 -0.182992 0.625571
H 4.738292 0.225039 -0.881413
H 4.485752 1.193885 0.624541
H 0.949649 2.766254 1.923978
H 1.488866 3.326781 0.284690
H 2.595878 3.475877 1.707631
H 3.893233 -3.004382 0.742283
H 4.373495 -2.543882 -0.934296
H 3.812840 -4.236215 -0.591999
H -3.825363 1.467793 -0.882124
H -5.076864 1.928252 1.549183
H -6.158290 2.170671 0.341008


%chk=000236515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236515

0 1
O 3.755532 -0.753243 0.905558
O 2.661942 1.814992 0.807534
O 2.140677 -2.991768 -0.042726
O -2.099557 1.190031 -1.118564
O -5.792372 -1.116538 0.312026
N -2.521773 -1.068815 -0.826539
N -4.681486 0.929124 0.085661
N -5.431540 1.605677 1.090291
C -0.245765 -0.220047 -0.416307
C 2.471313 -0.536877 0.383458
C 1.854562 0.756945 0.363188
C 1.700016 -1.664938 -0.024313
C 0.517168 0.913838 -0.043691
C 0.347881 -1.499452 -0.412325
C -1.669957 0.020455 -0.813064
C -3.912986 -0.950733 -1.293517
C -4.890234 -0.402128 -0.222421
C 4.883567 0.000333 0.311711
C 2.043056 3.143202 0.900731
C 3.565287 -3.319199 -0.237956
H 0.025518 1.889306 -0.076215
H -0.174143 -2.397615 -0.756972
H -2.217682 -1.954855 -0.421805
H -4.280178 -1.947207 -1.583789
H -3.923136 -0.283960 -2.174474
H 5.773296 -0.346228 0.858931
H 4.982314 -0.241582 -0.764850
H 4.739933 1.083407 0.446694
H 1.178995 3.129627 1.591142
H 1.720179 3.506345 -0.093263
H 2.831692 3.797214 1.300409
H 4.149807 -3.104808 0.669399
H 3.987278 -2.759125 -1.094317
H 3.566846 -4.397555 -0.461513
H -3.876037 1.426858 -0.328348
H -5.431063 1.056662 1.962717
H -6.399453 1.757362 0.771122


