%chk=000217814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217814

0 1
O 2.906141 1.992898 0.108026
O 4.060024 -0.687486 -0.211138
N -2.351186 -1.183008 0.122839
N -4.166192 2.455360 -1.051305
C -1.568801 0.058841 0.457965
C -2.128068 1.193137 -0.429778
C -3.617360 1.431785 -0.107149
C -3.787741 -1.020659 0.518433
C -4.408212 0.121228 -0.300896
C -1.736940 -2.396877 0.741769
C -0.077871 -0.141675 0.243712
C -0.397046 -2.642046 0.029635
C 0.478874 -1.422952 0.059820
C 0.766431 0.976825 0.295261
C 1.861196 -1.573264 -0.123780
C 2.145376 0.827552 0.127322
C 2.694977 -0.452444 -0.101190
C 3.876120 2.073582 1.188806
C 4.685797 -0.022917 -1.343840
H -1.702755 0.343368 1.540163
H -1.542216 2.118340 -0.294498
H -2.019050 0.912581 -1.500095
H -3.711259 1.761515 0.960931
H -3.922225 -0.835240 1.605629
H -4.317753 -1.969579 0.283053
H -4.399355 -0.146553 -1.380266
H -5.468108 0.254355 -0.025483
H -2.411497 -3.264300 0.578625
H -1.581544 -2.306149 1.837924
H -0.590924 -2.908160 -1.035097
H 0.113742 -3.514537 0.480312
H 0.367151 1.978021 0.459384
H -3.598280 3.295762 -1.053516
H -5.107647 2.724777 -0.787201
H 2.303938 -2.554922 -0.286216
H 4.527325 1.191927 1.189460
H 3.348434 2.177018 2.140378
H 4.428727 2.984628 0.937659
H 4.469438 1.051762 -1.333149
H 4.334341 -0.487920 -2.268921
H 5.748095 -0.224874 -1.173489


%chk=000217814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217814

0 1
O 2.982553 2.007562 0.188471
O 4.123871 -0.657587 -0.268605
N -2.362119 -1.175743 0.171409
N -4.201775 2.460067 -1.065963
C -1.589410 0.068406 0.434627
C -2.163663 1.201037 -0.455859
C -3.660242 1.431251 -0.155810
C -3.793448 -1.010411 0.512088
C -4.430288 0.106275 -0.337144
C -1.743818 -2.372737 0.780913
C -0.082954 -0.139199 0.236968
C -0.413984 -2.666727 0.066929
C 0.477633 -1.434315 0.060254
C 0.787625 0.977399 0.293194
C 1.876295 -1.567684 -0.116756
C 2.179218 0.839252 0.139966
C 2.731591 -0.450237 -0.103960
C 3.948018 2.034002 1.311393
C 4.699580 -0.002788 -1.466383
H -1.740685 0.381029 1.508230
H -1.605029 2.140878 -0.281968
H -2.043924 0.926254 -1.519156
H -3.742322 1.720330 0.925832
H -3.930375 -0.775325 1.602084
H -4.308526 -1.969460 0.317626
H -4.397660 -0.172494 -1.406309
H -5.492984 0.234240 -0.046316
H -2.438562 -3.223825 0.656160
H -1.567227 -2.244150 1.880295
H -0.637897 -2.976104 -0.972685
H 0.107997 -3.510819 0.557458
H 0.404144 1.987550 0.471153
H -3.685985 3.346575 -1.049876
H -5.213174 2.605446 -0.975496
H 2.325122 -2.555330 -0.272678
H 4.626567 1.162636 1.270648
H 3.407541 2.042144 2.277310
H 4.514073 2.970586 1.191165
H 4.517516 1.086897 -1.446977
H 4.261910 -0.439089 -2.384424
H 5.778893 -0.216092 -1.427709


