%chk=000189953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189953

0 1
O -4.734301 -1.784275 0.027221
O -2.247594 -1.304149 0.021061
O -8.489622 -0.412233 0.043666
O -7.153534 -2.112993 0.034120
N -1.366049 0.817060 0.026832
N -7.376221 -0.920629 0.038653
N 4.159443 -0.438772 0.015042
N 5.028948 0.465059 -0.045551
C -3.810673 0.466238 0.032347
C 0.028292 0.474829 0.021485
C -4.893307 -0.467860 0.032394
C -2.437213 -0.081843 0.026316
C -6.236625 0.008935 0.038250
C -4.109436 1.835883 0.037906
C 0.943063 1.551337 0.026383
C 0.487275 -0.852414 0.011974
C -6.485524 1.387885 0.043722
C -5.425180 2.296533 0.043518
C 2.775993 -0.037976 0.011674
C 2.309351 1.291789 0.020883
C 1.857224 -1.105992 0.007814
C 6.416706 0.067592 -0.035892
C 7.324158 1.119669 -0.269952
C 6.886149 -1.237498 0.201941
C 8.694615 0.855942 -0.266807
C 8.260058 -1.483680 0.204022
C 9.163502 -0.441285 -0.030198
H -1.570762 1.821276 0.031660
H -3.296296 2.568890 0.037869
H 0.595516 2.582184 0.034218
H -0.221011 -1.689936 0.008177
H -7.527782 1.740280 0.048157
H -5.630854 3.366912 0.047758
H 3.025903 2.117932 0.023987
H 2.223164 -2.136651 0.000895
H -3.719291 -2.090164 0.022872
H 6.951760 2.128577 -0.452061
H 6.177718 -2.047925 0.382825
H 9.401511 1.664604 -0.448761
H 8.628671 -2.492235 0.388291
H 10.234555 -0.639596 -0.028111


%chk=000189953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189953

0 1
O -4.777513 -1.824450 0.148773
O -2.326687 -1.475806 0.108446
O -8.641894 -0.088576 0.085612
O -7.423225 -2.008178 0.190980
N -1.362890 0.643455 0.003403
N -7.511387 -0.729052 0.117236
N 4.199969 -0.526752 0.013673
N 5.023336 0.491816 -0.033491
C -3.823442 0.423570 0.028220
C 0.020262 0.305047 0.008581
C -4.960377 -0.482044 0.083158
C -2.462989 -0.188100 0.048759
C -6.275286 0.094229 0.064438
C -4.049291 1.820687 -0.042364
C 0.938815 1.395904 -0.044241
C 0.508582 -1.028102 0.061687
C -6.457052 1.490434 -0.006599
C -5.349274 2.357235 -0.060235
C 2.816812 -0.165655 0.008629
C 2.319418 1.169279 -0.044374
C 1.898545 -1.245968 0.060878
C 6.411230 0.139040 -0.028272
C 7.311161 1.236963 -0.077784
C 6.914498 -1.193199 0.021858
C 8.703421 1.011232 -0.077428
C 8.304553 -1.408986 0.021802
C 9.203375 -0.311466 -0.027599
H -1.549620 1.646605 -0.039428
H -3.211819 2.527763 -0.086307
H 0.558078 2.425423 -0.085392
H -0.194678 -1.859560 0.102256
H -7.483025 1.867345 -0.018157
H -5.499827 3.438543 -0.115355
H 3.034442 1.995960 -0.084386
H 2.301039 -2.263155 0.101047
H -3.739562 -1.993327 0.147015
H 6.893585 2.248564 -0.115800
H 6.203273 -2.023832 0.059706
H 9.395626 1.859152 -0.115425
H 8.697616 -2.431112 0.060168
H 10.284502 -0.489625 -0.027087


