%chk=000239629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239629

0 1
O -3.665523 -0.492482 2.241041
O -6.402370 1.625918 -0.819366
O 4.839229 0.782025 2.467838
O 6.832772 -0.361140 1.872602
N -1.570407 -0.707948 -0.026959
N -4.332408 0.976332 -1.584074
N -5.028443 0.572755 0.720102
N -2.025938 0.165137 -2.118504
N 0.124305 -1.002879 -1.845872
N 1.223417 -0.766280 -1.043475
C -2.861591 -0.147990 0.015956
C -3.116331 0.366486 -1.288765
C -3.802609 -0.077052 1.106690
C -1.095895 -0.490615 -1.312990
C -5.335422 1.097448 -0.570150
C -0.877961 -1.313242 1.111992
C -4.590738 1.508370 -2.943987
C -6.088541 0.737652 1.753486
C 3.588921 -0.785954 -0.653082
C 4.647533 0.080465 1.285382
C 5.847424 -0.607328 0.928651
C 3.507131 0.012516 0.520845
C 2.418615 -0.915176 -1.546397
C 4.767086 -1.456715 -1.000484
C 5.933357 -1.381915 -0.206713
C 6.224039 0.522595 2.873300
H -0.016507 -0.692240 1.426740
H -1.570690 -1.415765 1.976275
H -0.490970 -2.314166 0.842375
H -3.847756 2.285360 -3.197712
H -5.604443 1.950879 -2.993084
H -4.516884 0.697930 -3.690867
H -5.909635 0.035848 2.589812
H -7.084619 0.536608 1.320337
H -6.081981 1.767363 2.149295
H 0.199850 -0.846242 -2.870069
H 2.590340 0.533894 0.790614
H 4.802261 -2.065230 -1.904610
H 2.654992 -1.144624 -2.597215
H 6.843309 -1.908292 -0.481793
H 6.200341 -0.017141 3.829215
H 6.766139 1.477236 2.853315


%chk=000239629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239629

0 1
O -3.673375 0.428644 2.392951
O -6.818150 0.722692 -1.110793
O 5.071146 -0.643154 2.871344
O 7.149431 -0.931917 1.699769
N -1.518031 0.100136 0.131394
N -4.567717 0.429361 -1.710475
N -5.227487 0.573625 0.605500
N -2.150049 0.118904 -2.083519
N 0.171312 -0.159935 -1.664229
N 1.268309 -0.274432 -0.839476
C -2.924690 0.276245 0.086770
C -3.260603 0.280242 -1.276908
C -3.891522 0.423030 1.137453
C -1.116575 0.013839 -1.190991
C -5.609840 0.583421 -0.762598
C -0.720579 0.035990 1.374877
C -4.884263 0.428092 -3.150941
C -6.336128 0.736363 1.573556
C 3.671469 -0.568029 -0.625478
C 4.851232 -0.655811 1.472405
C 6.078174 -0.826386 0.785742
C 3.638455 -0.524147 0.808267
C 2.446873 -0.437392 -1.414734
C 4.910212 -0.740232 -1.306383
C 6.138537 -0.872720 -0.608789
C 6.535062 -0.823629 3.053617
H 0.027364 0.844167 1.393368
H -1.422512 0.148076 2.215768
H -0.195564 -0.929623 1.444905
H -4.357099 1.254985 -3.656022
H -5.972161 0.553642 -3.250641
H -4.566185 -0.524137 -3.607809
H -5.896547 0.701288 2.580982
H -7.073979 -0.072207 1.443554
H -6.846629 1.699074 1.406673
H 0.247164 -0.197769 -2.691207
H 2.692364 -0.391937 1.336930
H 4.918149 -0.771437 -2.401928
H 2.554923 -0.481403 -2.516346
H 7.087336 -1.004544 -1.133944
H 6.717613 -1.762156 3.604240
H 6.947961 0.063585 3.562840


