%chk=000208851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208851

0 1
O -0.185975 1.627306 2.156840
O -1.618704 1.626112 -1.318409
N -1.572209 0.129643 1.048549
N -3.591150 2.637627 -0.857205
C 0.748234 -0.487017 1.216699
C -0.051926 -1.539012 0.483468
C -1.410776 -1.114145 0.358376
C -0.300662 0.598407 1.543702
C 1.859192 0.080909 0.369268
C -2.686813 1.048238 0.803881
C 0.348270 -2.749201 -0.048490
C -2.358906 -1.889759 -0.295012
C 3.192561 -0.078577 0.770490
C 1.559668 0.758108 -0.823219
C -0.610951 -3.546359 -0.704884
C -1.932805 -3.121663 -0.825507
C -2.541403 1.774014 -0.540661
C 4.222950 0.436380 -0.022429
C 2.594447 1.270426 -1.608208
C 3.926660 1.109929 -1.210942
H 1.144032 -0.894030 2.181030
H -3.650098 0.489214 0.844874
H -2.703979 1.799153 1.637014
H 1.382834 -3.079683 0.027097
H -3.388548 -1.567765 -0.404291
H 3.432089 -0.596245 1.696651
H 0.517340 0.888959 -1.139000
H -0.306918 -4.502142 -1.127109
H -2.657835 -3.749890 -1.343277
H 5.258301 0.313613 0.290185
H 2.359792 1.797928 -2.531983
H 4.730043 1.511176 -1.825150
H -3.537393 3.188158 -1.702766
H -4.320861 2.886890 -0.216482


%chk=000208851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208851

0 1
O -0.112677 1.739814 2.121175
O -1.818528 1.777683 -1.398167
N -1.503543 0.249477 0.931117
N -3.990409 2.365597 -0.816518
C 0.768867 -0.442846 1.187579
C -0.060043 -1.497955 0.460230
C -1.389896 -1.023724 0.310737
C -0.276181 0.663087 1.495139
C 1.949459 0.092766 0.371198
C -2.643577 1.138890 0.847368
C 0.299642 -2.747808 -0.061734
C -2.380170 -1.773592 -0.347654
C 3.278208 -0.139380 0.798501
C 1.719315 0.807068 -0.833792
C -0.686735 -3.526922 -0.723523
C -2.007675 -3.040679 -0.863487
C -2.764608 1.775165 -0.564418
C 4.370483 0.327134 0.030943
C 2.810356 1.274778 -1.596230
C 4.138770 1.034431 -1.169989
H 1.152902 -0.826717 2.151936
H -3.578733 0.616588 1.125159
H -2.465715 1.952085 1.578262
H 1.328868 -3.112463 0.027605
H -3.400879 -1.398726 -0.476728
H 3.460281 -0.679006 1.736485
H 0.692736 1.006558 -1.167638
H -0.421707 -4.506185 -1.135897
H -2.756173 -3.647840 -1.384840
H 5.395680 0.143957 0.372287
H 2.624903 1.830650 -2.522281
H 4.983121 1.400482 -1.765117
H -4.121363 2.856133 -1.701214
H -4.746480 2.368202 -0.133394


