%chk=000201608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201608

0 1
O -1.192130 -1.560948 0.286867
O -0.889962 2.444684 0.688894
O 5.212892 -0.887746 -0.543721
N -2.280870 0.830267 -0.114891
N 3.800596 0.910081 -0.257995
C -3.496187 1.685475 -0.006729
C -4.186614 1.790012 -1.384481
C -4.446978 1.086707 1.038043
C 0.133675 0.369302 0.130816
C -1.035870 1.296892 0.280177
C -3.370741 2.617699 -2.371780
C 0.074795 -1.040248 0.138878
C 1.386611 0.980402 0.003032
C 2.556149 0.209977 -0.132373
C 1.234896 -1.818084 0.003196
C 2.472669 -1.195697 -0.135125
C -1.348254 -3.014386 0.364375
C 5.063531 0.315819 -0.456096
C -2.804168 -3.184674 0.671056
C 6.190989 1.306300 -0.547934
C -3.415283 -4.365327 0.645984
H -3.169841 2.710290 0.330625
H -4.374610 0.781868 -1.800634
H -5.186440 2.248407 -1.250240
H -2.416190 -0.131657 -0.424834
H -5.309597 1.741077 1.205174
H -4.828288 0.104386 0.743256
H -3.941049 0.966501 2.005117
H -3.204078 3.637848 -2.004236
H -3.874455 2.692411 -3.341247
H -2.380972 2.176144 -2.544513
H 1.428404 2.075987 0.024296
H 1.189192 -2.903867 0.003349
H 3.381282 -1.803822 -0.245084
H 3.737790 1.927340 -0.189257
H -0.703001 -3.400582 1.175902
H -1.053127 -3.443652 -0.610146
H -3.319727 -2.253173 0.927568
H 7.143195 0.770396 -0.704808
H 6.075991 2.001190 -1.390240
H 6.308408 1.898489 0.369398
H -4.464704 -4.489402 0.878881
H -2.928427 -5.297687 0.396879


%chk=000201608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201608

0 1
O -1.222295 -1.466216 -0.069857
O -0.648194 2.762490 0.087762
O 5.428193 -0.919715 -0.128505
N -2.199091 1.033673 -0.002684
N 3.940096 0.892865 -0.033649
C -3.369958 1.935807 0.020746
C -4.574846 1.239324 -0.656140
C -3.691637 2.381495 1.467916
C 0.215048 0.493982 -0.011721
C -0.910455 1.512033 0.032382
C -4.349397 0.906609 -2.146740
C 0.086483 -0.928057 -0.066822
C 1.517119 1.038468 -0.002741
C 2.676835 0.231528 -0.049343
C 1.242238 -1.741557 -0.120186
C 2.533840 -1.178251 -0.111778
C -1.382594 -2.940519 -0.083969
C 5.215033 0.329068 -0.071184
C -2.851030 -3.234359 0.066208
C 6.360534 1.339134 -0.036676
C -3.568174 -3.961996 -0.824412
H -3.088214 2.835664 -0.559725
H -4.821251 0.313510 -0.093664
H -5.452106 1.906507 -0.551129
H -2.329658 0.014655 -0.033236
H -4.520104 3.113997 1.472730
H -3.988179 1.516395 2.090284
H -2.806031 2.857554 1.921461
H -4.134902 1.823450 -2.726623
H -5.242904 0.427069 -2.586700
H -3.494219 0.219841 -2.281735
H 1.572278 2.134291 0.041146
H 1.156505 -2.830250 -0.174933
H 3.423666 -1.808666 -0.153361
H 3.893315 1.913045 0.011377
H -0.808096 -3.363967 0.766016
H -0.982260 -3.348817 -1.032277
H -3.326175 -2.842239 0.975809
H 6.995933 1.129720 0.841137
H 6.987571 1.199282 -0.933993
H 6.030744 2.391885 0.006291
H -4.627762 -4.185257 -0.659953
H -3.116398 -4.358478 -1.742129


