%chk=000247097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247097

0 1
O -1.474748 -2.621768 0.392833
O -3.237814 -1.133145 0.115554
O -1.216688 1.303793 2.147512
O -2.575589 2.102572 -2.209331
N -1.470274 0.247994 -1.261568
N -1.938739 2.075325 0.065505
C -1.089478 -0.150828 0.128331
C 0.404443 -0.501868 0.225521
C -1.948027 -1.324470 0.696037
C -1.394969 1.133482 0.968913
C 1.329093 0.631632 -0.236548
C -2.084810 1.537889 -1.264847
C 2.768044 0.197528 -0.152425
C -2.326783 3.452890 0.420253
C 3.460898 0.287794 1.064935
C 3.423282 -0.303621 -1.287139
C -1.483028 -3.032171 -0.991122
C -4.298248 -1.898298 0.732027
C 4.795577 -0.117454 1.142720
C 4.758872 -0.707009 -1.203733
C 5.447572 -0.615282 0.009686
H 0.605604 -1.416591 -0.373125
H 0.641845 -0.777761 1.276045
H -1.965788 -1.339362 1.810310
H -1.888433 -0.474673 -1.848930
H 1.168424 1.540705 0.379476
H 1.070586 0.933522 -1.274389
H -3.185122 3.776164 -0.197124
H -1.488482 4.150213 0.245330
H -2.610439 3.503052 1.487224
H 2.958508 0.674548 1.949891
H 2.893490 -0.376658 -2.234674
H -2.452397 -2.816866 -1.451218
H -1.314946 -4.114035 -0.916271
H -0.659312 -2.545750 -1.523689
H -5.146205 -1.714764 0.060956
H -4.498472 -1.507429 1.734149
H -4.034542 -2.960485 0.760070
H 5.329497 -0.044605 2.088877
H 5.264043 -1.092998 -2.087530
H 6.487060 -0.929015 0.072408


%chk=000247097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247097

0 1
O -1.547287 -2.687493 0.233407
O -3.305016 -1.035272 0.346599
O -1.260914 1.275000 2.074004
O -2.544570 2.040804 -2.388631
N -1.459934 0.208955 -1.320643
N -1.992114 1.999324 -0.059920
C -1.063867 -0.183852 0.041585
C 0.444406 -0.516370 0.189849
C -1.925106 -1.342783 0.651281
C -1.434915 1.098662 0.840693
C 1.387677 0.630002 -0.257785
C -2.057564 1.458156 -1.390700
C 2.850632 0.224547 -0.141054
C -2.516930 3.320169 0.286537
C 3.486450 0.184029 1.127682
C 3.600824 -0.149087 -1.284953
C -1.757953 -2.998822 -1.190194
C -4.263220 -1.776084 1.186784
C 4.833795 -0.221097 1.250369
C 4.949956 -0.556402 -1.167387
C 5.570846 -0.595118 0.102000
H 0.669340 -1.438146 -0.378659
H 0.630530 -0.752004 1.254631
H -1.742058 -1.364384 1.744515
H -1.469141 -0.413760 -2.124438
H 1.193911 1.518708 0.374105
H 1.150961 0.910128 -1.301101
H -2.898050 3.780564 -0.638955
H -1.722076 3.950763 0.719630
H -3.334429 3.228703 1.021881
H 2.923627 0.481012 2.021911
H 3.127332 -0.113251 -2.274323
H -2.722597 -2.592648 -1.547203
H -1.766375 -4.097501 -1.255344
H -0.924262 -2.615013 -1.814711
H -5.261700 -1.469734 0.840595
H -4.134289 -1.503471 2.252684
H -4.135198 -2.867645 1.066518
H 5.310115 -0.241934 2.237254
H 5.515719 -0.837729 -2.063029
H 6.616950 -0.907726 0.195418


