%chk=000251369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251369

0 1
O 0.122832 2.180339 -0.174823
O 3.909741 0.797953 -0.299404
O 2.381089 -0.573077 -1.253137
O -2.297005 -2.133520 0.345534
N 0.508596 0.193103 0.800503
N -1.955111 -0.297888 -1.002708
C -1.857264 0.788637 0.005080
C -2.575458 2.051799 -0.556764
C -2.563250 0.520894 1.350686
C -3.988710 2.059732 0.045079
C -4.007010 1.015632 1.178450
C -0.341631 1.106703 0.194091
C 1.951181 0.502027 0.954449
C 0.218163 -1.172785 1.317286
C 2.430320 -0.389599 2.118935
C 1.363090 -1.487296 2.299791
C 2.702218 0.141230 -0.336961
C -2.206496 -1.653058 -0.773724
C -2.321712 -2.478930 -2.026946
C 4.830769 0.624592 -1.421693
C 5.533806 -0.712519 -1.311092
H -2.011949 2.962695 -0.261245
H -2.592712 2.074734 -1.657726
H -2.528619 -0.548676 1.646867
H -2.055488 1.083289 2.156576
H -4.243706 3.063694 0.425535
H -4.745803 1.817761 -0.720034
H -4.395292 1.443098 2.117283
H -4.673548 0.172786 0.920796
H 2.095795 1.599298 1.154270
H 0.202690 -1.898337 0.473050
H -0.784399 -1.214833 1.798277
H 2.532881 0.214740 3.038689
H 3.428678 -0.818178 1.921820
H 1.783287 -2.488045 2.097717
H 0.996029 -1.508350 3.340562
H -1.862888 0.028430 -1.967357
H -2.545745 -3.526100 -1.763254
H -3.125636 -2.136330 -2.689962
H -1.385917 -2.490004 -2.603848
H 4.259875 0.729361 -2.361509
H 5.504833 1.487755 -1.271802
H 4.829191 -1.543881 -1.463909
H 5.989472 -0.848781 -0.322552
H 6.326610 -0.811395 -2.061774


%chk=000251369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251369

0 1
O 0.488133 1.952842 0.052263
O 3.873371 1.035286 -0.025602
O 2.465175 -0.264965 -1.362980
O -3.116771 -1.848067 0.930951
N 0.573237 -0.196810 0.853064
N -1.969321 -0.548815 -0.663224
C -1.652836 0.728724 0.038206
C -2.137488 1.892703 -0.879448
C -2.500725 0.992042 1.322257
C -3.670846 1.959600 -0.651455
C -3.903080 1.409539 0.797823
C -0.123667 0.862058 0.311414
C 2.031733 -0.025569 1.071206
C 0.091648 -1.516999 1.335900
C 2.475360 -1.367103 1.730345
C 1.171475 -1.911361 2.366590
C 2.765124 0.226837 -0.252034
C -2.684311 -1.661999 -0.250345
C -2.931807 -2.699650 -1.349039
C 4.722377 1.354271 -1.215659
C 5.773222 0.264288 -1.443916
H -1.630329 2.812493 -0.544609
H -1.852762 1.738010 -1.936825
H -2.551258 0.131651 2.003230
H -2.015046 1.838286 1.843636
H -4.042663 2.992533 -0.771424
H -4.205422 1.334166 -1.389445
H -4.361261 2.165726 1.459626
H -4.573775 0.533103 0.784649
H 2.220360 0.842251 1.726662
H 0.063495 -2.244930 0.500500
H -0.920329 -1.452035 1.763734
H 3.287853 -1.208415 2.456829
H 2.834451 -2.067156 0.953544
H 1.204337 -3.000104 2.539950
H 0.974086 -1.411621 3.332565
H -1.656192 -0.557014 -1.637547
H -2.631479 -3.693692 -0.977286
H -4.015256 -2.744400 -1.559206
H -2.397461 -2.492463 -2.292611
H 4.060848 1.468505 -2.091924
H 5.177423 2.322621 -0.953952
H 5.294011 -0.690627 -1.717654
H 6.387201 0.112891 -0.539185
H 6.444964 0.562070 -2.270471


