%chk=000215136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215136

0 1
O 0.138759 -1.911522 -2.053442
O -3.195649 2.543242 -0.979253
O -3.832896 -1.687854 1.503650
O -4.879059 0.934418 0.824487
N 1.203433 -0.295004 -0.838877
C 2.563256 -0.677215 -1.301318
C 3.134589 0.332519 -2.320726
C 3.037613 1.811051 -1.937220
C 3.895326 2.191266 -0.726121
C 3.471912 -0.881575 -0.100447
C 3.389934 1.574882 0.585765
C 3.862483 0.156512 0.765437
C 3.936574 -2.185704 0.135376
C 4.720822 -0.130074 1.840665
C 4.787084 -2.461847 1.207133
C 5.181804 -1.428637 2.061782
C 0.070722 -0.974496 -1.276514
C -1.220406 -0.452509 -0.698347
C -1.936914 -1.263724 0.185291
C -1.671884 0.815718 -1.054142
C -2.904195 1.279498 -0.544935
C -3.152672 -0.793111 0.699881
C -3.668231 0.467830 0.321657
C -4.412719 3.180507 -0.509486
C -4.279853 -1.170671 2.787810
C -6.027744 0.227636 0.267231
H 2.456003 -1.664035 -1.850459
H 2.606618 0.182378 -3.285844
H 4.194551 0.065446 -2.509145
H 1.981005 2.090720 -1.759855
H 3.356054 2.421515 -2.807922
H 3.912970 3.294500 -0.625932
H 4.947663 1.888176 -0.898132
H 2.280421 1.611630 0.628667
H 3.725824 2.204850 1.435481
H 1.145515 0.488095 -0.190017
H 3.627078 -2.997632 -0.524549
H 5.032714 0.669487 2.510525
H 5.138799 -3.477415 1.376219
H 5.846237 -1.635746 2.898674
H -1.580061 -2.254860 0.466309
H -1.112673 1.453103 -1.737791
H -4.466970 3.149259 0.584668
H -5.279612 2.687689 -0.957189
H -4.285610 4.202608 -0.884665
H -4.834548 -0.232604 2.671860
H -3.406194 -1.038146 3.432343
H -4.922654 -1.981343 3.148223
H -5.953727 -0.843477 0.487340
H -6.083355 0.402000 -0.810076
H -6.864538 0.692067 0.797329


%chk=000215136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215136

0 1
O 0.122489 -2.221358 -1.540655
O -2.634462 2.609821 0.911159
O -4.781616 -1.701916 -0.261444
O -5.039218 1.013057 0.687574
N 1.232435 -0.569037 -0.347051
C 2.581086 -1.070892 -0.724193
C 2.918450 -0.773334 -2.217893
C 2.756300 0.688668 -2.682101
C 3.709153 1.705952 -2.015478
C 3.620238 -0.579809 0.286818
C 3.465718 1.898573 -0.493402
C 4.020378 0.788630 0.397210
C 4.204006 -1.540980 1.149958
C 4.992002 1.131280 1.372921
C 5.173520 -1.185085 2.112979
C 5.569963 0.164779 2.225421
C 0.079265 -1.187669 -0.795953
C -1.230784 -0.583768 -0.352479
C -2.389075 -1.388518 -0.468797
C -1.345535 0.733016 0.156583
C -2.604696 1.258613 0.523756
C -3.643567 -0.880508 -0.088642
C -3.775398 0.461202 0.377187
C -3.344998 2.943188 2.166077
C -5.509792 -2.029984 0.986478
C -5.928757 1.181981 -0.491477
H 2.525334 -2.174739 -0.649243
H 2.254205 -1.414392 -2.826372
H 3.957798 -1.114296 -2.396148
H 1.708459 1.007984 -2.509381
H 2.910552 0.718875 -3.778938
H 3.575372 2.687996 -2.511549
H 4.762769 1.405337 -2.182645
H 2.372784 2.022158 -0.340766
H 3.925859 2.853318 -0.176587
H 1.174443 0.158671 0.365897
H 3.888000 -2.587632 1.062585
H 5.303303 2.179656 1.459751
H 5.609601 -1.949950 2.764731
H 6.320106 0.463594 2.966171
H -2.303742 -2.405213 -0.862177
H -0.490153 1.412623 0.234357
H -2.853866 2.445014 3.024347
H -4.404545 2.645749 2.109948
H -3.249264 4.035230 2.263867
H -5.849890 -1.112445 1.499377
H -4.859897 -2.621509 1.658650
H -6.371118 -2.637293 0.669558
H -6.100274 0.210018 -0.986373
H -5.478279 1.899300 -1.201429
H -6.871065 1.585447 -0.090788


