%chk=000286679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286679

0 1
O -2.495121 -1.009730 -0.823146
O -3.063944 -2.135650 2.112812
O -2.761064 1.355992 1.533539
O -3.704357 1.574744 -2.273626
O 3.972364 3.209216 0.644684
N -0.321905 -0.804491 0.113441
N 0.947783 -2.703583 -0.897063
N 3.268085 -2.143734 -1.421198
N 1.299788 3.229791 0.200129
N 3.357353 1.958366 0.543126
C -1.640581 -1.445965 0.241673
C -2.360528 -1.040481 1.559976
C -3.330600 0.103893 1.141799
C -3.371944 0.076598 -0.405122
C -2.923050 1.372058 -1.095184
C 0.813779 -1.413174 -0.455837
C 0.016778 0.537186 0.421186
C 1.877303 -0.441499 -0.476051
C 1.338399 0.777383 0.075850
C 3.121008 -0.878928 -0.976181
C 2.072744 2.035430 0.255946
C 2.184384 -3.000944 -1.365368
H -1.537959 -2.552589 0.081571
H -1.668432 -0.740073 2.379951
H -4.333057 -0.017563 1.600271
H -4.368706 -0.241629 -0.792039
H -1.848578 1.344024 -1.348501
H -3.147834 2.268937 -0.479298
H -0.703985 1.208655 0.880393
H -3.660604 -2.557739 1.451134
H -2.995140 1.565684 2.465338
H -3.452329 0.923904 -2.965734
H 3.995005 -0.212913 -1.009752
H 2.352441 -4.024953 -1.737615
H 0.556514 3.239767 -0.485400
H 1.843088 4.088611 0.179010
H 4.919001 2.955597 0.904388


%chk=000286679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286679

0 1
O -2.562054 -0.964280 -0.874482
O -3.260266 -2.240447 1.809455
O -2.661417 1.433498 1.548499
O -3.447118 1.180132 -2.568456
O 4.039494 3.358789 0.325073
N -0.304961 -0.714428 0.089749
N 0.869245 -2.665302 -0.830117
N 3.231984 -2.268892 -1.351202
N 1.496659 3.234068 0.547191
N 3.499430 1.987883 0.123932
C -1.613024 -1.358876 0.193425
C -2.411243 -1.088542 1.492524
C -3.300202 0.157582 1.174204
C -3.490976 0.108833 -0.364393
C -3.213005 1.405461 -1.142096
C 0.820794 -1.372832 -0.427655
C 0.071086 0.609661 0.394288
C 1.918952 -0.449230 -0.442386
C 1.419488 0.811192 0.080018
C 3.143211 -0.970719 -0.928790
C 2.168569 2.061076 0.251534
C 2.101448 -3.045867 -1.280473
H -1.419710 -2.435144 0.046852
H -1.773867 -0.947128 2.378814
H -4.261177 0.045155 1.709158
H -4.502808 -0.243921 -0.633286
H -2.181976 1.758605 -0.952972
H -3.920366 2.194683 -0.841662
H -0.662107 1.278716 0.845167
H -3.707376 -2.552822 0.979334
H -2.769682 1.575394 2.521434
H -2.873467 0.420228 -2.849805
H 4.047103 -0.358281 -0.974407
H 2.199452 -4.080496 -1.620337
H 0.486331 3.301125 0.479530
H 2.058008 4.076646 0.657220
H 5.011645 3.218677 0.214220


