%chk=000245400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245400

0 1
O 4.390641 -0.475880 -0.013257
O -2.898090 -1.562094 0.864547
O 3.440167 1.572614 -0.070298
N -4.188160 0.059797 -0.054126
C -0.438647 -0.456667 0.312119
C -1.704917 0.286920 -0.129497
C 0.823863 0.312205 -0.086573
C -2.943098 -0.490215 0.276014
C 2.085531 -0.430042 0.365065
C -4.361902 1.376120 -0.713432
C -5.426951 -0.668147 0.340708
C 3.319642 0.377230 0.073426
C -4.299072 2.530239 0.288005
C -6.051877 -1.395455 -0.848649
C 5.733669 0.097998 -0.257161
C 6.508344 -1.092322 -0.797032
C 6.258458 0.635272 1.063285
H -0.469779 -0.620862 1.409226
H -0.434462 -1.475730 -0.127290
H -1.728466 1.301062 0.321246
H -1.694476 0.439143 -1.228090
H 0.852325 0.465644 -1.183825
H 0.815414 1.331194 0.354602
H 2.156439 -1.428797 -0.118574
H 2.049669 -0.642753 1.456627
H -3.587984 1.505781 -1.503102
H -5.342674 1.386760 -1.242733
H -5.162669 -1.407651 1.138468
H -6.146725 0.051450 0.786020
H -4.452643 3.494212 -0.209838
H -3.332084 2.574117 0.804038
H -5.067711 2.433499 1.064947
H -6.945781 -1.949616 -0.540404
H -5.350148 -2.122803 -1.279476
H -6.343586 -0.710159 -1.650726
H 5.611864 0.905942 -1.012872
H 6.519587 -1.923021 -0.078342
H 7.547334 -0.824909 -1.018096
H 6.051529 -1.479395 -1.717091
H 6.204046 -0.119198 1.857756
H 7.302224 0.957533 0.981322
H 5.669055 1.502283 1.395664


%chk=000245400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245400

0 1
O 4.462008 -0.572826 0.011212
O -2.979909 -1.651970 0.728525
O 3.459820 1.525712 -0.204173
N -4.239668 0.139388 -0.039720
C -0.469492 -0.459509 0.299923
C -1.739819 0.260755 -0.193277
C 0.816284 0.268796 -0.144006
C -3.022320 -0.491405 0.203930
C 2.086665 -0.464964 0.332095
C -4.382864 1.478800 -0.650389
C -5.485994 -0.577818 0.327691
C 3.365666 0.294234 0.015862
C -4.540541 2.611097 0.391155
C -6.008663 -1.475470 -0.814393
C 5.822380 0.039457 -0.225742
C 6.677579 -1.091452 -0.801139
C 6.347234 0.609438 1.099673
H -0.502106 -0.537710 1.403777
H -0.477723 -1.499789 -0.074695
H -1.763773 1.295731 0.202168
H -1.703294 0.353746 -1.299421
H 0.838435 0.356701 -1.248836
H 0.831832 1.303933 0.247437
H 2.158053 -1.479595 -0.099454
H 2.049304 -0.604969 1.432446
H -3.515256 1.684368 -1.299435
H -5.270309 1.456979 -1.312241
H -5.265358 -1.199554 1.211768
H -6.245285 0.175417 0.610821
H -4.683742 3.584439 -0.113638
H -3.646229 2.683014 1.035241
H -5.414306 2.431533 1.042936
H -6.949608 -1.972537 -0.514158
H -5.264441 -2.255158 -1.048612
H -6.208296 -0.890746 -1.731646
H 5.683765 0.856189 -0.958830
H 6.762984 -1.922174 -0.078554
H 7.693372 -0.718636 -1.026106
H 6.235212 -1.484500 -1.732482
H 6.416689 -0.185861 1.863009
H 7.355128 1.039351 0.952423
H 5.684485 1.408863 1.471452


