%chk=000218485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218485

0 1
O -4.683917 2.321164 -0.006472
O -0.708142 -0.036381 -0.074988
O 1.423587 1.821075 -0.008833
O -3.560154 -2.129716 -0.514915
O 4.041875 0.794078 -0.330059
N -3.541217 -0.199242 0.677321
C -5.014581 -0.060565 0.494177
C -2.910625 1.068824 1.118145
C -1.418500 -1.271579 -0.101513
C -5.320653 1.107237 -0.458053
C -3.252454 2.197746 0.132268
C -2.893117 -1.214933 -0.036672
C -0.571912 -2.345739 -0.245030
C 0.777182 -1.804402 -0.297955
C 0.631540 -0.393496 -0.193368
C 1.720748 0.495703 -0.201546
C 2.056970 -2.355541 -0.429075
C -0.939188 -3.769056 -0.330167
C 2.997129 -0.101208 -0.328862
C 3.154140 -1.503051 -0.447643
C 2.373626 2.795869 -0.565620
C 5.393942 0.284748 -0.581123
C 1.603655 4.098743 -0.491133
C 6.237581 1.543734 -0.558548
H -5.468703 0.117656 1.493924
H -5.439441 -1.015307 0.101110
H -1.807483 0.962129 1.238167
H -3.312921 1.310059 2.130235
H -4.995051 0.893966 -1.491254
H -6.389192 1.386632 -0.447179
H -2.966516 3.192515 0.516946
H -2.801888 2.031561 -0.861706
H 2.182776 -3.433368 -0.514060
H -0.652868 -4.316627 0.580124
H -2.033248 -3.895827 -0.461037
H -0.454426 -4.265270 -1.183402
H 4.150234 -1.926671 -0.543338
H 3.273089 2.780102 0.077831
H 2.634244 2.499069 -1.593874
H 5.653689 -0.418655 0.228646
H 5.401928 -0.221490 -1.561204
H 2.223521 4.946580 -0.802315
H 0.710939 4.074126 -1.130496
H 1.251704 4.291809 0.532257
H 7.301960 1.311273 -0.683370
H 5.946751 2.239132 -1.357392
H 6.119886 2.085095 0.391351


%chk=000218485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218485

0 1
O -4.958468 2.398856 0.462983
O -0.645788 -0.026061 -0.133721
O 1.540196 1.867056 -0.064314
O -3.517807 -2.239494 -0.559805
O 4.166083 0.797330 -0.334075
N -3.541862 -0.115604 0.392603
C -5.020682 -0.086330 0.301885
C -2.996257 1.031285 1.157680
C -1.387795 -1.262291 -0.150357
C -5.468817 1.253379 -0.312079
C -3.486977 2.350786 0.529170
C -2.870139 -1.227093 -0.111186
C -0.528529 -2.350611 -0.276876
C 0.822499 -1.806764 -0.325747
C 0.703655 -0.392166 -0.238403
C 1.788179 0.502931 -0.249224
C 2.113173 -2.374176 -0.445437
C -0.879988 -3.810685 -0.345000
C 3.081124 -0.096615 -0.358021
C 3.227410 -1.513279 -0.465015
C 2.109762 2.818650 -1.065749
C 5.531799 0.232675 -0.342229
C 1.525161 4.187409 -0.730897
C 6.496746 1.410679 -0.239094
H -5.451569 -0.193383 1.317954
H -5.345262 -0.943941 -0.309941
H -1.899084 1.007815 1.169736
H -3.375547 0.965154 2.198459
H -5.112881 1.320567 -1.362940
H -6.566860 1.349244 -0.288089
H -3.193408 3.212910 1.150219
H -3.056372 2.460691 -0.489208
H 2.250539 -3.456964 -0.522834
H -0.373044 -4.373904 0.461634
H -1.967508 -3.952558 -0.268785
H -0.546102 -4.244144 -1.307235
H 4.228135 -1.944797 -0.554313
H 3.210549 2.803052 -0.989245
H 1.810276 2.483565 -2.079103
H 5.646441 -0.458261 0.517579
H 5.691199 -0.336286 -1.280991
H 1.912090 4.947491 -1.434459
H 0.423805 4.171577 -0.800575
H 1.804981 4.486808 0.293834
H 7.539214 1.043874 -0.228406
H 6.377331 2.093189 -1.098037
H 6.316898 1.980937 0.687953


