%chk=000203056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203056

0 1
O -0.423398 0.427190 -0.195894
O -3.676357 -2.859877 1.338382
O -4.664684 -2.924772 -0.671285
N -1.725558 -3.598212 -1.184674
N -5.765969 1.839283 0.624904
C 4.434017 0.272818 -0.032545
C 3.198023 1.059187 0.425037
C 5.729277 0.923613 0.471284
C 1.907775 0.405902 -0.081246
C 6.964968 0.137020 0.014195
C 0.680964 1.191533 0.378567
C 8.262195 0.786216 0.516970
C -2.706828 0.074880 -0.568604
C -2.317807 -1.128058 -1.376306
C -1.709828 0.878151 0.041400
C -2.245146 -2.394732 -0.494967
C 9.495263 0.007068 0.065026
C -4.043858 0.423332 -0.397951
C -2.045229 2.005712 0.795268
C -4.394655 1.557019 0.369211
C -3.390164 2.346805 0.957626
C -3.655811 -2.757142 -0.027688
H 4.451661 0.206712 -1.137751
H 4.372328 -0.771620 0.330567
H 3.262953 2.103507 0.061648
H 3.182917 1.121914 1.530959
H 5.713390 0.988922 1.576466
H 5.793050 1.967614 0.108326
H 1.832465 -0.641068 0.276474
H 1.911090 0.337291 -1.187783
H 6.983754 0.069965 -1.090582
H 6.904226 -0.907210 0.376782
H 0.568392 1.204264 1.475616
H 0.651158 2.215739 -0.028532
H 8.246549 0.851604 1.622592
H 8.326363 1.830437 0.153254
H -3.028313 -1.280149 -2.215841
H -1.322815 -0.952680 -1.844520
H -1.599651 -2.189568 0.407583
H 9.482823 -1.022399 0.440839
H 10.415923 0.477244 0.428443
H 9.562788 -0.044407 -1.027608
H -4.823193 -0.195256 -0.846095
H -1.281942 2.621278 1.262459
H -3.653771 3.216826 1.554507
H -2.199664 -3.757202 -2.070558
H -0.731509 -3.508138 -1.370691
H -5.975504 2.806757 0.829373
H -6.416229 1.461704 -0.051697
H -4.575528 -3.088817 1.697160


%chk=000203056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203056

0 1
O -0.515286 0.362704 -0.383747
O -3.006729 -2.520864 1.591509
O -4.380496 -3.287647 -0.112724
N -1.837148 -3.570132 -1.502710
N -5.834330 2.025642 0.630848
C 4.461998 0.264417 -0.065338
C 3.174120 1.019291 0.334250
C 5.749114 0.909891 0.495094
C 1.896442 0.354406 -0.227152
C 7.033739 0.143147 0.107603
C 0.622970 1.090020 0.197189
C 8.323105 0.782453 0.671683
C -2.886524 0.099415 -0.668157
C -2.594363 -1.126479 -1.512173
C -1.816484 0.842434 -0.091880
C -2.153011 -2.390221 -0.680326
C 9.599896 0.004878 0.285057
C -4.211455 0.509638 -0.414959
C -2.088941 1.973604 0.708387
C -4.506773 1.643005 0.396039
C -3.422063 2.371355 0.951729
C -3.290070 -2.789601 0.253879
H 4.528610 0.213760 -1.172177
H 4.394238 -0.784930 0.290093
H 3.238687 2.068061 -0.024137
H 3.111338 1.070188 1.441532
H 5.678115 0.968300 1.601619
H 5.823773 1.956847 0.132969
H 1.834504 -0.694358 0.122757
H 1.941406 0.323010 -1.333026
H 7.108404 0.085724 -0.998707
H 6.958411 -0.904394 0.467863
H 0.528972 1.108918 1.304096
H 0.627225 2.137838 -0.172934
H 8.245780 0.842746 1.776651
H 8.400664 1.827742 0.308515
H -3.483073 -1.408703 -2.107787
H -1.759435 -0.917605 -2.206513
H -1.272686 -2.119333 -0.077168
H 9.559537 -1.034585 0.662230
H 10.507036 0.480497 0.701310
H 9.717166 -0.042752 -0.814215
H -5.033681 -0.066566 -0.859149
H -1.277343 2.557748 1.152240
H -3.617676 3.251599 1.576230
H -2.649741 -3.954292 -1.996145
H -1.015280 -3.453653 -2.101076
H -6.048679 2.835661 1.203491
H -6.604979 1.496017 0.236159
H -3.798106 -2.758640 2.149281


