%chk=000216112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216112

0 1
O -0.966043 2.341175 1.426033
O 0.356305 4.079714 0.836475
O -3.706708 1.177227 0.918800
N -2.580002 -2.252360 0.282391
C 1.897465 1.021376 0.487113
C 1.306205 1.940404 1.575328
C 2.730280 2.140270 1.095958
C 2.171115 -0.402765 0.865075
C 1.433842 1.137864 -0.932744
C 0.261699 2.940640 1.219847
C 1.120292 -1.224782 1.297845
C 2.371635 1.340982 -1.955625
C 3.469220 -0.921484 0.759197
C 0.073474 1.012968 -1.246351
C 1.370863 -2.559520 1.626138
C 1.945005 1.424027 -3.283917
C 3.713259 -2.257231 1.091058
C -0.347576 1.098651 -2.575220
C -2.165288 3.079024 1.031103
C 2.666497 -3.077019 1.525009
C 0.586743 1.304060 -3.595740
C -1.617530 -2.319201 -0.868546
C -3.353006 -3.538081 0.220773
C -2.202305 -3.270231 -1.936384
C -3.335829 -4.043835 -1.238646
C -3.311153 2.316703 1.695575
C -3.471135 -1.051509 0.213818
C -2.761019 0.072905 0.978683
H 1.133824 1.499687 2.571191
H 3.551698 1.904530 1.770943
H 2.963595 3.021222 0.493007
H 0.106800 -0.827931 1.374664
H 3.429081 1.433086 -1.714702
H 4.283502 -0.286962 0.414968
H -0.662558 0.854317 -0.443585
H 0.550504 -3.195366 1.959530
H 2.673059 1.584254 -4.077562
H 4.721429 -2.659923 1.009451
H -1.405978 1.009256 -2.815601
H -2.217032 3.045676 -0.071885
H -2.075818 4.123975 1.374259
H 2.859385 -4.116599 1.782302
H 0.257433 1.372603 -4.630676
H -1.388439 -1.320786 -1.282960
H -0.664607 -2.722332 -0.460910
H -2.826366 -4.252117 0.889855
H -4.379213 -3.427485 0.613506
H -2.583514 -2.706844 -2.803590
H -1.427912 -3.951189 -2.324593
H -3.168001 -5.131674 -1.280294
H -4.303095 -3.858275 -1.733756
H -4.239523 2.921076 1.708138
H -3.045553 2.006501 2.723291
H -3.714610 -0.723135 -0.817947
H -4.447798 -1.260347 0.702897
H -2.568246 -0.192835 2.031183
H -1.811751 0.394543 0.497333


%chk=000216112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216112

0 1
O -1.144317 2.353607 1.583650
O 0.244680 3.740450 0.313369
O -3.923342 1.197943 0.806776
N -2.764913 -2.327614 0.350952
C 2.032251 1.038925 0.472240
C 1.150925 1.803357 1.525522
C 2.628652 2.161393 1.314780
C 2.374543 -0.396569 0.836610
C 1.792730 1.256607 -1.011460
C 0.100286 2.748596 1.065276
C 1.374933 -1.316345 1.243907
C 2.653524 2.066762 -1.789952
C 3.712389 -0.849006 0.709956
C 0.714982 0.594285 -1.654128
C 1.707787 -2.661479 1.521232
C 2.441105 2.218557 -3.178838
C 4.047202 -2.192309 0.988757
C 0.496564 0.746980 -3.039012
C -2.334988 3.127452 1.134039
C 3.044563 -3.104461 1.394542
C 1.361018 1.560650 -3.808828
C -2.078681 -2.416452 -0.976132
C -3.381041 -3.675487 0.512861
C -2.937847 -3.379372 -1.881235
C -3.936127 -4.064810 -0.893468
C -3.574690 2.368148 1.611088
C -3.727164 -1.192081 0.443384
C -2.993119 0.061567 0.937724
H 0.882504 1.222792 2.411310
H 3.321782 1.897894 2.118775
H 2.808480 3.125465 0.829059
H 0.333905 -0.986419 1.349032
H 3.490195 2.585503 -1.308909
H 4.489138 -0.144526 0.389064
H 0.051209 -0.049645 -1.065509
H 0.922866 -3.357931 1.837100
H 3.114881 2.852093 -3.766693
H 5.085779 -2.527937 0.889407
H -0.343649 0.232482 -3.519700
H -2.312216 3.227532 0.034330
H -2.290176 4.137725 1.584204
H 3.303319 -4.146980 1.611689
H 1.193577 1.680489 -4.885103
H -1.968378 -1.409879 -1.416346
H -1.064752 -2.834734 -0.830824
H -2.588640 -4.389902 0.812223
H -4.145222 -3.664090 1.308022
H -3.474007 -2.825712 -2.671489
H -2.289216 -4.120908 -2.380526
H -3.991403 -5.158317 -1.036178
H -4.954629 -3.655641 -1.024294
H -4.452040 3.034291 1.526541
H -3.441045 2.084222 2.677744
H -4.225677 -0.955824 -0.525108
H -4.523779 -1.450590 1.163944
H -2.676552 -0.066606 1.993060
H -2.081560 0.242757 0.333064


