%chk=000242815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242815

0 1
O 5.761507 -0.414258 0.469265
O 4.829845 2.376765 0.538602
O 3.723804 -2.396966 -0.113246
O -1.858280 0.926368 -0.410524
O -2.820143 -1.192198 -0.133809
N -4.061619 0.813815 -0.090129
N -0.620233 0.339496 -0.090038
C 4.435191 -0.066387 0.231990
C 4.041697 1.289881 0.277728
C 3.446383 -1.048479 0.000538
C 1.753307 0.659186 -0.228765
C 2.700463 1.651974 0.041702
C 2.112383 -0.693846 -0.240324
C 0.359053 1.082678 -0.507396
C -5.407216 0.323584 -0.019413
C 6.438534 -0.897819 -0.729079
C 6.221977 2.160735 0.891050
C 4.437313 -2.989998 1.007890
C -6.440033 1.283171 -0.004959
C -5.699664 -1.048855 0.042302
C -7.764698 0.851413 0.073209
C -7.033063 -1.454687 0.118832
C -8.066968 -0.512962 0.134565
C -2.925542 0.000574 -0.181078
H 2.431668 2.706088 0.081314
H 1.372286 -1.476737 -0.420294
H 0.249542 2.033025 -1.057991
H 7.430225 -1.156344 -0.345759
H 5.918030 -1.776451 -1.126767
H 6.487796 -0.100776 -1.474636
H -6.218810 2.345989 -0.052203
H -4.898178 -1.794076 0.033387
H 6.526341 3.163152 1.213660
H 6.305714 1.427449 1.701285
H 6.774993 1.830363 0.008081
H 4.680987 -3.985584 0.621400
H 5.337433 -2.417120 1.257743
H 3.754701 -3.049824 1.860919
H -3.932787 1.829435 -0.123698
H -8.568952 1.587114 0.085938
H -7.265603 -2.519177 0.167292
H -9.102282 -0.840110 0.194715


%chk=000242815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242815

0 1
O 5.927996 -0.400232 -0.016415
O 5.080057 2.370701 0.091180
O 3.899031 -2.441274 -0.066918
O -1.861041 0.833550 -0.020637
O -2.889772 -1.332006 0.020443
N -4.101400 0.706873 -0.062108
N -0.563516 0.135791 -0.008619
C 4.557467 -0.064793 0.035494
C 4.168479 1.302590 0.114123
C 3.546110 -1.075429 0.019891
C 1.800341 0.632595 0.036407
C 2.796432 1.639281 0.108892
C 2.184664 -0.736263 0.005326
C 0.389475 1.043370 0.021645
C -5.460321 0.284114 -0.065239
C 6.357661 -1.005474 -1.304745
C 6.189055 2.343939 1.071901
C 4.610828 -2.977310 1.117203
C -6.456646 1.296287 -0.107385
C -5.841817 -1.083064 -0.028573
C -7.821916 0.946625 -0.112746
C -7.213948 -1.414479 -0.034303
C -8.210708 -0.412885 -0.076028
C -2.971539 -0.093203 -0.018217
H 2.530078 2.700842 0.147518
H 1.430728 -1.527407 -0.028045
H 0.162348 2.121104 0.040345
H 7.425583 -1.237782 -1.175586
H 5.781210 -1.924363 -1.509650
H 6.222696 -0.275928 -2.123871
H -6.162136 2.353429 -0.135966
H -5.075021 -1.859766 0.002857
H 6.771057 3.254619 0.864562
H 5.784404 2.383118 2.101632
H 6.809210 1.442740 0.940998
H 4.828338 -4.028327 0.874325
H 5.547134 -2.420527 1.301721
H 3.955912 -2.925270 2.007249
H -3.924489 1.713446 -0.093749
H -8.580298 1.736594 -0.145552
H -7.503320 -2.471003 -0.005932
H -9.271304 -0.685220 -0.080129


