%chk=000186291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186291

0 1
O -1.562419 0.101627 0.300652
O 1.383735 0.226815 -0.092928
O -2.720961 -0.329679 -1.613670
O 3.248161 1.537739 0.026738
N -1.443983 2.347139 -0.661251
C -2.790031 -1.942939 0.287629
C 3.388705 -0.908846 0.473545
C -3.322192 -1.514616 1.658858
C -3.867845 -2.685469 -0.508949
C -1.521689 -2.794085 0.423088
C 3.105576 -1.885596 -0.672875
C 4.895270 -0.680378 0.635877
C 2.764593 -1.394004 1.787172
C -2.400128 -0.682174 -0.511407
C 2.745956 0.451516 0.122028
C -0.857519 1.141833 -0.242309
C 0.535566 1.272541 -0.393200
C 0.805177 2.577295 -0.880803
C -0.427090 3.218851 -1.053516
C -2.884130 2.598656 -0.758747
H -3.571611 -2.385807 2.275318
H -2.574551 -0.924743 2.210051
H -4.226708 -0.902409 1.577035
H -4.780469 -2.087549 -0.620168
H -4.145322 -3.624202 -0.016897
H -3.526606 -2.931327 -1.523673
H -1.142264 -3.123552 -0.551487
H -0.715115 -2.230554 0.915200
H -1.710168 -3.692223 1.021504
H 3.518567 -2.877377 -0.459702
H 2.025025 -2.001781 -0.839008
H 3.543467 -1.544335 -1.618414
H 5.351479 -0.302792 -0.288270
H 5.409558 -1.608779 0.905309
H 5.112371 0.060467 1.416575
H 2.968354 -0.705116 2.615554
H 1.672819 -1.484907 1.698706
H 3.158376 -2.375259 2.073374
H 1.781890 2.987437 -1.065803
H -0.616967 4.211914 -1.416414
H -3.371028 2.457012 0.223122
H -3.086806 3.625967 -1.102798
H -3.348444 1.891386 -1.480744


%chk=000186291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186291

0 1
O -1.578096 0.155415 0.371567
O 1.373159 0.316897 0.057797
O -2.447292 -0.433015 -1.724529
O 3.376846 1.449034 -0.369300
N -1.473733 2.429675 -0.559575
C -2.792773 -1.950686 0.231803
C 3.414019 -0.920261 0.421168
C -3.619634 -1.511745 1.474518
C -3.663035 -2.800766 -0.724055
C -1.543591 -2.762110 0.694358
C 2.927443 -2.046721 -0.537115
C 4.952908 -0.781008 0.345138
C 2.973812 -1.246711 1.878384
C -2.294384 -0.711963 -0.522655
C 2.777807 0.414096 -0.008574
C -0.865378 1.239499 -0.161807
C 0.521573 1.388393 -0.283524
C 0.780322 2.712026 -0.780020
C -0.470159 3.323510 -0.942818
C -2.921159 2.653405 -0.635809
H -3.970633 -2.411994 2.011275
H -3.010365 -0.904394 2.163609
H -4.508396 -0.924478 1.178573
H -4.552168 -2.239842 -1.061847
H -4.002106 -3.712593 -0.200239
H -3.095666 -3.100164 -1.621850
H -0.938313 -3.089554 -0.170702
H -0.905020 -2.158330 1.360680
H -1.878897 -3.663221 1.239377
H 3.394856 -3.004543 -0.242793
H 1.830998 -2.158711 -0.491464
H 3.213531 -1.833239 -1.583125
H 5.281746 -0.538601 -0.680182
H 5.424960 -1.731962 0.652415
H 5.314075 0.023213 1.009235
H 3.299108 -0.457293 2.580361
H 1.877273 -1.344469 1.948202
H 3.436976 -2.199148 2.195825
H 1.751940 3.149110 -0.982135
H -0.716763 4.320071 -1.302073
H -3.409670 2.309533 0.292489
H -3.110165 3.732086 -0.753564
H -3.355353 2.109255 -1.492713


