%chk=000287246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287246

0 1
O 3.609572 0.814981 -0.167763
O -2.240661 2.289035 1.217262
O -3.176013 -2.558799 0.721898
O -0.712891 2.675174 -0.407224
N -0.908061 -2.400341 0.510439
C 0.263335 -1.620948 0.349631
C 0.157632 -0.202448 0.262359
C -1.162243 0.400141 0.371619
C 1.320595 0.566178 0.076936
C 1.542601 -2.229731 0.268970
C -2.207515 -1.827009 0.595960
C -2.267617 -0.359242 0.528221
C 2.564954 -0.061975 0.000917
C 2.684054 -1.465854 0.099641
C -0.806141 -3.878656 0.592652
C -1.298216 1.892066 0.301894
C 4.959416 0.265860 -0.311647
C -2.565498 3.716798 1.293729
C 5.808241 1.506461 -0.506568
C -3.467559 4.100747 0.141103
H 1.266131 1.655704 -0.028695
H 1.639116 -3.312962 0.340102
H -3.272426 0.066537 0.630092
H 3.655426 -1.950501 0.042926
H -0.207437 -4.186636 1.465027
H -0.369583 -4.297559 -0.328450
H -1.821528 -4.316989 0.711260
H 5.212099 -0.285127 0.610049
H 4.974132 -0.404132 -1.188032
H -3.068457 3.755616 2.277847
H -1.621821 4.290472 1.308569
H 6.865471 1.252661 -0.640697
H 5.479285 2.079353 -1.385965
H 5.725113 2.186224 0.353572
H -3.849881 5.122469 0.254286
H -2.930690 4.055649 -0.818899
H -4.331936 3.428683 0.060980


%chk=000287246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287246

0 1
O 3.692986 0.847986 -0.177427
O -2.623089 2.240036 1.170931
O -3.190563 -2.598641 0.973751
O -0.507053 2.799937 0.394936
N -0.878667 -2.401340 0.563281
C 0.270476 -1.604668 0.376480
C 0.180864 -0.162429 0.414171
C -1.137002 0.427292 0.664617
C 1.361594 0.601608 0.220883
C 1.534301 -2.210589 0.149565
C -2.169982 -1.852971 0.806516
C -2.233452 -0.394308 0.848519
C 2.604490 -0.019568 -0.001608
C 2.692063 -1.436936 -0.037533
C -0.781830 -3.873697 0.513283
C -1.344292 1.917878 0.713150
C 5.020794 0.249640 -0.419008
C -2.970654 3.694633 1.209252
C 6.001726 1.407333 -0.581535
C -3.484097 4.165351 -0.154309
H 1.306941 1.691343 0.232576
H 1.623659 -3.298629 0.118862
H -3.221886 0.026759 1.037862
H 3.646089 -1.943573 -0.208347
H -0.110256 -4.250595 1.305252
H -0.411707 -4.209122 -0.471837
H -1.796377 -4.267060 0.677374
H 5.298739 -0.394841 0.441038
H 4.983473 -0.377247 -1.334333
H -3.747785 3.749221 1.987941
H -2.075378 4.260953 1.519723
H 7.020202 1.019509 -0.765519
H 5.710523 2.046870 -1.431913
H 6.022416 2.030035 0.328882
H -3.820506 5.216177 -0.080017
H -2.686619 4.113237 -0.914144
H -4.339145 3.552318 -0.487315


