%chk=000206132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206132

0 1
O -1.099828 -1.692846 1.815861
O 2.566940 -2.474857 0.178701
N 0.709884 -1.176638 0.442383
N -1.470559 -0.190441 0.128795
C 1.433175 0.036796 -0.089806
C -2.852064 0.137930 0.589186
C 1.822127 -0.172958 -1.566224
C 2.674639 0.357021 0.766991
C 2.512866 1.085385 -2.106578
C 3.360870 1.618801 0.228783
C -2.886505 1.531562 1.250075
C -3.820261 0.048893 -0.607324
C 3.733437 1.459764 -1.252656
C -2.724147 2.674789 0.242177
C -3.660671 1.207349 -1.599153
C -3.748173 2.567716 -0.895296
C -0.662211 -1.043348 0.876459
C 1.416738 -2.425594 0.565112
C 0.662816 -3.592859 1.152745
C 1.485703 -4.871253 1.084130
H 0.734754 0.912110 -0.015918
H -3.145028 -0.633877 1.357134
H 0.938550 -0.427684 -2.175170
H 2.508971 -1.045074 -1.645477
H 3.384880 -0.498922 0.739888
H 2.392806 0.485061 1.826682
H 1.799902 1.930587 -2.136101
H 2.827480 0.914419 -3.153763
H 4.270881 1.826368 0.823555
H 2.703379 2.498501 0.361690
H -2.103182 1.597484 2.029674
H -3.850675 1.641181 1.785173
H -4.856522 0.036638 -0.214391
H -3.684623 -0.917993 -1.130194
H 4.509900 0.675482 -1.355164
H 4.187448 2.393775 -1.630951
H -1.698007 2.674242 -0.171144
H -2.838421 3.646270 0.760625
H -4.442986 1.137139 -2.379488
H -2.696385 1.120258 -2.134473
H -4.769468 2.715773 -0.493667
H -3.587917 3.382199 -1.626212
H -1.107946 0.350553 -0.651195
H 0.385746 -3.355958 2.209755
H -0.316156 -3.730507 0.645331
H 0.960481 -5.704823 1.563156
H 2.456666 -4.750245 1.584813
H 1.702895 -5.157267 0.046871


%chk=000206132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206132

0 1
O -0.933078 -1.476836 2.194464
O 2.552002 -2.551647 0.080668
N 0.726535 -1.166409 0.497380
N -1.422014 -0.189080 0.312488
C 1.477456 0.051853 0.011216
C -2.747177 0.272367 0.785617
C 1.828260 -0.016734 -1.496104
C 2.727802 0.348376 0.878675
C 2.513990 1.296005 -1.951361
C 3.400384 1.663091 0.412814
C -2.736228 1.794704 1.096978
C -3.849784 -0.065169 -0.252700
C 3.761833 1.606270 -1.090818
C -2.625047 2.657501 -0.182937
C -3.749547 0.799518 -1.533734
C -3.744706 2.310405 -1.194967
C -0.587063 -0.975554 1.086395
C 1.367993 -2.429245 0.514953
C 0.570556 -3.633276 1.025931
C 1.255222 -4.965701 0.672566
H 0.781586 0.902270 0.160802
H -2.931589 -0.290752 1.717528
H 0.910395 -0.198324 -2.092950
H 2.503421 -0.873913 -1.665482
H 3.438229 -0.490495 0.787153
H 2.427790 0.421272 1.941610
H 1.797338 2.141324 -1.870026
H 2.793274 1.217056 -3.019606
H 4.307842 1.848296 1.018832
H 2.716616 2.520150 0.591991
H -1.909828 2.018820 1.797245
H -3.681434 2.043038 1.621371
H -4.832322 0.118788 0.226412
H -3.806677 -1.142437 -0.500235
H 4.520839 0.814374 -1.252568
H 4.217215 2.562888 -1.412390
H -1.634050 2.499269 -0.659882
H -2.670178 3.730566 0.083767
H -4.592588 0.560330 -2.209461
H -2.826566 0.545718 -2.098705
H -4.725905 2.584305 -0.754907
H -3.628586 2.910296 -2.117931
H -1.122623 0.063766 -0.630473
H 0.452107 -3.525631 2.119893
H -0.460982 -3.599287 0.625675
H 0.690628 -5.808769 1.110058
H 2.287104 -4.990056 1.060375
H 1.313754 -5.112398 -0.420220


