%chk=000226106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226106

0 1
O -0.948804 -1.521507 -0.006617
O -5.345269 1.593802 0.003215
N 0.618707 0.576667 -0.002279
C 4.449331 0.638938 -0.000067
C 5.510461 -0.469908 -0.000057
C 3.032917 0.050261 -0.001754
C 6.929512 0.114261 0.001183
C 1.980132 1.168387 -0.001389
C 7.990360 -0.994472 0.001534
C -0.532442 1.321591 0.000295
C 9.411239 -0.412875 0.002657
C -1.812289 0.680150 -0.000571
C -2.971992 1.498802 0.002085
C -1.928379 -0.777619 -0.004040
C -3.295179 -1.390397 -0.004458
C -4.451274 -0.594244 -0.001911
C -4.351509 0.894564 0.001247
C -0.470428 2.760308 0.003868
C 10.470896 -1.512376 0.003912
C -2.891468 2.877267 0.005502
C -1.621813 3.506820 0.006392
C -3.412334 -2.785635 -0.007444
C -5.715982 -1.195125 -0.002356
C -4.677886 -3.383616 -0.007873
C -5.827823 -2.590170 -0.005334
H 4.589054 1.290264 0.884938
H 4.590539 1.291685 -0.883786
H 5.372926 -1.124874 0.882375
H 5.374065 -1.123778 -0.883460
H 2.897079 -0.604419 -0.886773
H 2.895721 -0.606262 0.881683
H 7.068323 0.766925 0.884693
H 7.069594 0.767574 -0.881649
H 2.107900 1.816652 0.896806
H 2.108437 1.817794 -0.898692
H 7.853339 -1.649259 0.883548
H 7.854498 -1.648694 -0.881092
H 9.551691 0.239851 -0.881078
H 9.550110 0.240334 0.886293
H 0.554557 -0.460777 -0.005019
H 0.497089 3.255272 0.004540
H 10.385598 -2.156860 -0.878411
H 11.481370 -1.088471 0.003467
H 10.385517 -2.154888 0.887663
H -3.800646 3.482612 0.007481
H -1.575254 4.597843 0.009102
H -2.504228 -3.396853 -0.009427
H -6.608588 -0.562199 -0.000371
H -4.763267 -4.470319 -0.010197
H -6.813706 -3.054928 -0.005674


%chk=000226106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226106

0 1
O -0.896451 -1.512036 -0.004375
O -5.461296 1.605910 0.002609
N 0.599159 0.633565 0.000165
C 4.451224 0.639227 -0.000662
C 5.527946 -0.468881 -0.000626
C 3.010889 0.082236 -0.000843
C 6.970077 0.086571 -0.000714
C 1.952339 1.202216 0.000665
C 8.052113 -1.016488 0.001437
C -0.557726 1.370784 0.001774
C 9.493402 -0.457292 0.000995
C -1.853517 0.710961 0.001080
C -3.042791 1.515599 0.003007
C -1.946204 -0.752192 -0.001730
C -3.297751 -1.386057 -0.003603
C -4.483994 -0.597812 -0.001656
C -4.405864 0.891872 0.002689
C -0.518975 2.807234 0.004205
C 10.570742 -1.563148 0.004593
C -2.967331 2.921475 0.005447
C -1.701214 3.557520 0.005991
C -3.397918 -2.799732 -0.007530
C -5.752136 -1.230422 -0.003691
C -4.662047 -3.421959 -0.009517
C -5.843313 -2.635825 -0.007602
H 4.596424 1.288162 0.888257
H 4.596575 1.288440 -0.889350
H 5.385625 -1.119142 0.887548
H 5.385565 -1.119426 -0.888576
H 2.861138 -0.560624 -0.891436
H 2.861649 -0.562444 0.888521
H 7.111520 0.738902 0.886634
H 7.112407 0.736490 -0.889681
H 2.098470 1.846991 0.894007
H 2.098206 1.849248 -0.891099
H 7.913169 -1.666798 0.890518
H 7.913772 -1.669845 -0.885502
H 9.631341 0.191835 -0.887927
H 9.630105 0.196317 0.886826
H 0.451946 -0.395958 -0.001438
H 0.447249 3.319109 0.004660
H 10.476144 -2.212264 -0.886505
H 11.590407 -1.135842 0.004070
H 10.475028 -2.207439 0.899061
H -3.899933 3.492428 0.006898
H -1.642342 4.651462 0.007850
H -2.471159 -3.381333 -0.008956
H -6.644219 -0.596106 -0.002084
H -4.733484 -4.515022 -0.012556
H -6.824562 -3.122370 -0.009153


