%chk=000190441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190441

0 1
O 3.064846 2.042769 -2.929786
O 2.841083 -0.257955 -0.686605
N 1.851394 2.373353 0.552159
N -5.560092 0.617217 0.348388
C 0.682384 3.063649 1.198995
C 1.694395 2.070341 -0.898438
C 1.022968 3.167920 2.700988
C 0.543894 4.475560 0.598781
C -0.634959 2.283949 1.024361
C 3.117924 1.982701 -1.486250
C 3.848067 0.655884 -1.221647
C 3.234062 -1.531841 -0.364391
C 2.165396 -2.356253 0.092122
C 4.545091 -2.018180 -0.443116
C 2.462657 -3.672506 0.475359
C 4.801790 -3.336573 -0.055110
C -4.276435 0.001592 0.268977
C 3.771658 -4.160125 0.404597
C -1.624065 -0.975167 0.212561
C 0.841614 -1.870084 0.146066
C -3.467141 0.173904 -0.880088
C -3.732313 -0.677421 1.385640
C -2.162205 -0.305103 -0.903183
C -2.426187 -1.153982 1.355383
C -6.244347 0.893711 -0.945460
C -6.504900 0.056086 1.353804
C -0.295850 -1.457215 0.181259
H 2.061664 1.493417 1.044228
H 1.138500 1.123993 -1.094257
H 1.132582 2.879664 -1.410299
H 1.997643 3.647941 2.850895
H 0.274877 3.762689 3.233113
H 1.062269 2.185574 3.181747
H 0.257041 4.444406 -0.456592
H 1.493891 5.019482 0.664808
H -0.214655 5.057056 1.130498
H -0.547488 1.247805 1.372693
H -1.451232 2.743658 1.590113
H -0.957896 2.239675 -0.020001
H 3.743473 2.840587 -1.141166
H 4.645383 0.772414 -0.469292
H 4.240633 0.233742 -2.167950
H 2.540145 2.807227 -3.229068
H 5.358127 -1.394386 -0.799293
H 1.657435 -4.318329 0.828581
H 5.820058 -3.721802 -0.113607
H 3.983739 -5.183168 0.705559
H -3.855402 0.693110 -1.753588
H -4.326501 -0.823023 2.285035
H -1.547080 -0.167003 -1.793295
H -2.017373 -1.672975 2.222790
H -5.598420 1.529699 -1.576504
H -7.167834 1.465424 -0.757210
H -6.503915 -0.013544 -1.513054
H -7.412755 0.680154 1.392458
H -6.045025 0.099951 2.357088
H -6.803809 -0.984068 1.150501


%chk=000190441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190441

0 1
O 2.660501 1.540784 -3.319599
O 2.674195 -0.279342 -0.814670
N 1.976846 2.428298 0.298585
N -5.975663 -0.067386 0.197654
C 1.139572 3.368769 1.111496
C 1.692915 2.293151 -1.144605
C 1.519081 3.114188 2.590819
C 1.498021 4.828960 0.736461
C -0.388790 3.129555 0.921005
C 2.971107 1.882617 -1.916799
C 3.684769 0.664689 -1.327585
C 3.123258 -1.481224 -0.257638
C 2.100567 -2.318068 0.303553
C 4.479140 -1.880363 -0.222593
C 2.493484 -3.556796 0.886023
C 4.836302 -3.116669 0.363253
C -4.628749 -0.441165 0.217960
C 3.845001 -3.957296 0.917358
C -1.843993 -1.212192 0.261685
C 0.730911 -1.915954 0.284908
C -3.638808 0.303129 -0.503507
C -4.184363 -1.583368 0.961279
C -2.288430 -0.074988 -0.477844
C -2.831326 -1.953080 0.978291
C -6.401628 1.108849 -0.570502
C -6.968417 -0.852876 0.941171
C -0.467510 -1.591787 0.280771
H 1.992160 1.491691 0.728487
H 0.905451 1.542698 -1.376791
H 1.355044 3.270405 -1.541112
H 2.602914 3.266415 2.739702
H 0.969480 3.800491 3.259460
H 1.269643 2.077479 2.889525
H 1.251765 5.054350 -0.318005
H 2.578818 5.001067 0.882193
H 0.933888 5.539615 1.368054
H -0.661129 2.091555 1.187727
H -0.978639 3.815682 1.557604
H -0.692154 3.302580 -0.128973
H 3.693446 2.727499 -1.883674
H 4.339810 0.979018 -0.492401
H 4.286565 0.188885 -2.125260
H 2.082073 2.246717 -3.705053
H 5.259091 -1.242173 -0.646655
H 1.714245 -4.196731 1.312772
H 5.889622 -3.417376 0.383628
H 4.122615 -4.914800 1.369950
H -3.926959 1.180601 -1.088905
H -4.900595 -2.184852 1.527791
H -1.551987 0.507257 -1.042988
H -2.519283 -2.831227 1.554199
H -5.902686 2.034386 -0.217108
H -7.488355 1.246885 -0.456835
H -6.184246 0.997244 -1.652648
H -7.966685 -0.409309 0.800937
H -6.752530 -0.867205 2.029199
H -7.010572 -1.903683 0.588550


