%chk=000239107.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239107

0 1
O -2.533960 2.782063 -1.620746
O -1.992617 5.061961 0.140312
N 5.701799 -0.512902 -0.349189
N -3.086735 -4.536183 -0.391645
C 0.185810 -0.091142 1.301720
C 1.619972 -0.208853 0.823345
C -0.674834 -1.239977 0.813239
C -0.410250 1.259660 0.943378
C 2.508728 -1.036552 1.527610
C -1.801386 -1.615616 1.562046
C 2.089348 0.473517 -0.306882
C -0.388198 -1.940095 -0.366094
C -1.252533 1.420571 -0.163966
C -0.102790 2.368541 1.751750
C 4.310797 -0.484290 -0.015120
C -2.332137 -3.372410 -0.038995
C 3.832010 -1.178936 1.120103
C -2.622344 -2.660938 1.148288
C 3.411750 0.341557 -0.726302
C -1.200331 -2.989028 -0.792777
C -1.776500 2.684159 -0.459692
C -0.612365 3.632810 1.454645
C -1.448375 3.796901 0.343773
C 6.449803 -1.728597 0.079774
C 6.045926 -0.137233 -1.749567
C -4.485636 -4.585248 0.120364
C -3.025301 -4.944500 -1.823629
C -3.889386 3.264361 -1.408593
C -1.546449 5.693252 -1.091766
H 0.206832 -0.152561 2.428526
H 2.160013 -1.584698 2.403223
H -2.045784 -1.079678 2.479297
H 1.414850 1.119581 -0.872034
H 0.483738 -1.665406 -0.962855
H -1.515281 0.575724 -0.803039
H 0.553974 2.246418 2.612359
H 4.496392 -1.820846 1.694048
H -3.481533 -2.931816 1.757304
H 3.743597 0.895981 -1.600829
H -0.940820 -3.516699 -1.707414
H -0.372369 4.497535 2.071785
H 6.362339 -1.846381 1.174424
H 7.521130 -1.596153 -0.141851
H 6.104457 -2.657155 -0.400199
H 7.141864 -0.107439 -1.861580
H 5.676475 0.882830 -1.956289
H 5.634675 -0.819616 -2.509171
H -5.134278 -3.789579 -0.277125
H -4.932896 -5.560706 -0.130329
H -4.475836 -4.512223 1.222274
H -1.974287 -5.132578 -2.105933
H -3.565896 -5.895512 -1.956581
H -3.446762 -4.201681 -2.518264
H -3.884751 4.211453 -0.856261
H -4.460076 2.498473 -0.876371
H -4.252753 3.393804 -2.432968
H -1.759469 5.049103 -1.952360
H -0.478830 5.916183 -1.017734
H -2.144535 6.609787 -1.113534


%chk=000239107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239107

0 1
O -2.613057 2.962923 -1.603519
O -1.896480 5.213947 0.124977
N 5.680023 -0.759945 -0.532455
N -3.341562 -4.407789 -0.565643
C 0.161466 -0.105635 1.233365
C 1.619836 -0.232668 0.760862
C -0.730531 -1.259287 0.742868
C -0.430140 1.281902 0.922919
C 2.504393 -1.109612 1.437965
C -1.894099 -1.608952 1.474123
C 2.130957 0.461613 -0.362066
C -0.466004 -1.991896 -0.438852
C -1.278058 1.510136 -0.186617
C -0.104967 2.381084 1.759718
C 4.352845 -0.589835 -0.111698
C -2.490917 -3.377170 -0.139945
C 3.837053 -1.291372 1.024726
C -2.758204 -2.637918 1.056651
C 3.461606 0.294965 -0.795701
C -1.317755 -3.025419 -0.878166
C -1.779929 2.798835 -0.466383
C -0.587951 3.675592 1.478534
C -1.413834 3.901154 0.356175
C 6.570010 -1.668277 0.196922
C 6.180563 -0.015922 -1.692307
C -4.528845 -4.752160 0.222027
C -3.033751 -5.150947 -1.791058
C -3.999963 3.370834 -1.284235
C -1.456780 5.811707 -1.156432
H 0.187916 -0.183841 2.341312
H 2.138965 -1.670404 2.308310
H -2.133541 -1.059253 2.394245
H 1.481577 1.158611 -0.904139
H 0.433077 -1.762880 -1.022374
H -1.583262 0.683668 -0.836559
H 0.547167 2.222842 2.626994
H 4.476603 -1.977531 1.587508
H -3.638444 -2.866823 1.664799
H 3.805965 0.860422 -1.666474
H -1.060619 -3.560707 -1.797020
H -0.332552 4.531742 2.111632
H 6.704736 -1.358554 1.254511
H 7.562268 -1.672860 -0.282005
H 6.188288 -2.710533 0.196731
H 7.236138 -0.277606 -1.869138
H 6.123368 1.081844 -1.537252
H 5.612203 -0.255680 -2.615099
H -5.232197 -3.897684 0.307212
H -5.064605 -5.582123 -0.265859
H -4.265337 -5.076498 1.250507
H -2.055722 -5.672096 -1.725759
H -3.811061 -5.912372 -1.964148
H -3.003842 -4.487935 -2.680622
H -4.012940 4.324555 -0.725431
H -4.500992 2.582205 -0.690953
H -4.504793 3.485398 -2.255987
H -1.764054 5.183265 -2.011738
H -0.356896 5.936702 -1.159894
H -1.945348 6.797234 -1.204163


