%chk=000206589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206589

0 1
O -0.406107 -0.434124 -1.091808
O -1.369421 -0.133752 1.859691
O -4.235468 -0.321803 -0.274288
O 4.676481 -1.223264 0.891104
O 0.101365 2.131936 0.994217
N 1.170084 2.698833 -0.925104
C -2.079980 0.021124 0.623463
C -1.548301 -1.005268 -0.388992
C -3.544180 -0.275817 0.996898
C 0.830687 -0.645430 -0.500779
C 1.519978 0.464128 0.002848
C 1.418869 -1.928105 -0.522906
C 2.830733 0.310713 0.477522
C 2.709443 -2.093316 -0.046796
C 3.400656 -0.964943 0.448909
C 0.851790 1.800529 0.084474
C -5.664192 -0.427916 -0.141800
H -1.952395 1.057062 0.234890
H -2.267531 -1.161200 -1.220272
H -1.281912 -1.959571 0.089105
H -3.960786 0.522434 1.633250
H -3.646992 -1.247779 1.508824
H 0.853410 -2.770063 -0.922344
H 3.375630 1.165515 0.870637
H 3.203852 -3.064972 -0.043604
H -0.716414 0.616564 1.962954
H -5.936254 -1.352800 0.374798
H -5.998820 -0.452153 -1.186486
H -6.069431 0.448082 0.373339
H 1.669779 2.418413 -1.752396
H 0.697150 3.590198 -0.968263
H 5.108777 -0.418855 1.270816


%chk=000206589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206589

0 1
O -0.457717 0.023641 -0.818078
O -1.886270 0.968280 1.507240
O -4.544587 -0.824432 -0.280141
O 4.727847 -1.655554 0.591590
O 0.302568 2.408404 0.690786
N 2.242442 2.929360 -0.441569
C -2.546771 0.406177 0.340491
C -1.677086 -0.675701 -0.322935
C -3.870970 -0.175246 0.851550
C 0.794718 -0.420185 -0.393615
C 1.754395 0.568724 -0.039764
C 1.168299 -1.788524 -0.402707
C 3.081314 0.172548 0.274830
C 2.477943 -2.176427 -0.068542
C 3.437811 -1.193803 0.268379
C 1.354471 2.013759 0.091877
C -5.850156 -1.360015 0.091225
H -2.759237 1.184491 -0.423512
H -2.192688 -1.133841 -1.183566
H -1.396053 -1.443923 0.422659
H -4.492272 0.646591 1.264879
H -3.672074 -0.907370 1.665054
H 0.434812 -2.546237 -0.695776
H 3.811237 0.931904 0.585191
H 2.776318 -3.228700 -0.068952
H -1.074738 1.495790 1.219574
H -5.763462 -2.134994 0.883302
H -6.272514 -1.813652 -0.819530
H -6.530078 -0.558902 0.452758
H 3.012995 2.636695 -1.039616
H 2.030662 3.922721 -0.343793
H 5.319340 -0.907178 0.852611


