%chk=000185243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185243

0 1
O 0.163017 1.422783 -0.322741
O 1.703209 2.869629 0.466164
O -4.105862 -1.089446 0.481362
N -0.947964 2.983340 -3.056480
C 2.273074 0.455422 0.209121
C 2.579164 0.064159 -1.275552
C 4.677666 -0.849596 -0.673950
C 4.476919 -0.491488 0.827651
C 3.340719 -1.277691 -1.320351
C 3.580046 0.753204 0.974873
C 3.634189 1.025843 -1.895457
C 5.011548 0.425488 -1.503085
C 1.499064 -0.617925 1.008211
C 3.836458 -1.620850 1.661333
C 2.333287 -1.848612 1.410447
C 1.430722 1.734718 0.166861
C -0.796698 2.508301 -0.481498
C -2.112151 2.006075 0.076441
C -0.885944 2.774329 -1.923777
C -2.421433 0.643178 0.008645
C -3.005456 2.918892 0.650181
C -3.641962 0.220027 0.543548
C -4.228670 2.465587 1.162610
C -4.560671 1.112716 1.122065
C -3.192371 -2.148482 0.423565
C -2.020840 -2.188744 1.186544
C -3.611096 -3.216552 -0.382828
C -1.242789 -3.348879 1.130029
C -2.817330 -4.363686 -0.414517
C -1.635180 -4.430404 0.334675
H 1.638567 0.039212 -1.858092
H 5.459348 -1.623475 -0.774039
H 5.481804 -0.266515 1.257885
H 3.487960 -1.612700 -2.361702
H 2.833102 -2.110741 -0.813745
H 3.372243 0.964130 2.040046
H 4.077068 1.664103 0.594244
H 3.522253 2.061768 -1.541237
H 3.518148 1.061683 -2.990774
H 5.592242 0.159343 -2.400176
H 5.625013 1.141752 -0.937966
H 0.616702 -0.948136 0.422390
H 1.090718 -0.148442 1.926002
H 3.989978 -1.385784 2.733349
H 4.377871 -2.568765 1.481353
H 2.227009 -2.615885 0.609428
H 1.885622 -2.296942 2.318444
H -0.414545 3.417431 0.064200
H -1.724527 -0.056430 -0.455670
H -2.761924 3.978531 0.698575
H -4.926465 3.179642 1.602660
H -5.503624 0.739415 1.517523
H -1.732961 -1.349448 1.815107
H -4.532740 -3.138479 -0.955869
H -0.325674 -3.408921 1.716030
H -3.119273 -5.211205 -1.030350
H -1.022781 -5.328978 0.298894


%chk=000185243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185243

0 1
O 0.353038 0.749315 -0.740804
O 1.328700 2.669402 0.153746
O -4.680644 -0.980464 1.084775
N -1.670570 0.811875 -3.469362
C 2.617444 0.531287 0.097816
C 3.221825 0.205038 -1.332254
C 5.429427 0.039882 -0.453194
C 4.941292 0.362426 0.998177
C 4.385047 -0.811745 -1.219774
C 3.682101 1.261058 0.952779
C 3.983874 1.441024 -1.919228
C 5.446896 1.329430 -1.339984
C 2.136502 -0.728037 0.903390
C 4.608425 -0.875898 1.880120
C 3.268379 -1.604370 1.534990
C 1.415314 1.451998 -0.125312
C -0.886501 1.566300 -1.037298
C -1.925765 1.353349 0.053057
C -1.319648 1.140194 -2.378357
C -2.799384 0.241236 0.016554
C -1.984019 2.277771 1.125118
C -3.721520 0.056510 1.070160
C -2.925588 2.085578 2.160572
C -3.796676 0.976503 2.140795
C -4.405162 -2.250265 0.506134
C -3.143319 -2.879282 0.615445
C -5.500629 -2.905062 -0.095946
C -2.983943 -4.182822 0.094773
C -5.326616 -4.210177 -0.606643
C -4.069053 -4.852357 -0.517776
H 2.410558 -0.145128 -1.994406
H 6.422655 -0.445416 -0.408194
H 5.756509 0.922982 1.500665
H 4.760156 -1.042105 -2.237115
H 4.124120 -1.766377 -0.746556
H 3.293135 1.427929 1.976286
H 3.902394 2.258122 0.538837
H 3.502124 2.401814 -1.663300
H 3.996673 1.370066 -3.022134
H 6.180032 1.212640 -2.159154
H 5.740499 2.226210 -0.764446
H 1.492826 -1.357807 0.262632
H 1.487177 -0.351923 1.719383
H 4.558695 -0.516747 2.927683
H 5.438289 -1.609277 1.842628
H 3.477606 -2.458805 0.868493
H 2.866290 -2.055840 2.463159
H -0.574718 2.628888 -1.061571
H -2.771367 -0.459968 -0.824303
H -1.293509 3.127453 1.148901
H -2.980547 2.800748 2.987742
H -4.535039 0.809697 2.930536
H -2.307443 -2.369011 1.104380
H -6.463202 -2.388348 -0.153276
H -2.009519 -4.676976 0.176221
H -6.173176 -4.722132 -1.076814
H -3.936647 -5.862890 -0.918144


