%chk=000222582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222582

0 1
O -2.041892 1.380048 0.287126
O 2.041589 -1.379052 -0.290553
N -2.998784 -0.681747 -0.207571
N 2.998551 0.683769 0.199704
N -4.274515 -0.193310 -0.068809
N 4.274256 0.195212 0.061096
C -0.569934 -0.493704 -0.125554
C 0.569670 0.495304 0.119513
C -1.910606 0.210104 0.019670
C 1.910335 -0.208618 -0.025233
C -6.639719 -0.286915 -0.107934
C 6.639475 0.289030 0.098913
C -5.317409 -0.941437 -0.305520
C 5.317217 0.943763 0.296173
C -7.608545 -0.905798 0.698375
C 7.607898 0.906811 -0.708726
C -6.919927 0.941542 -0.724933
C 6.920034 -0.938526 0.717543
C -5.327562 -2.374028 -0.750218
C 5.327521 2.377015 0.738742
C -8.855149 -0.300746 0.872851
C 8.854453 0.301575 -0.882908
C -8.171173 1.538890 -0.546622
C 8.171230 -1.536062 0.539514
C -9.139628 0.918850 0.248410
C 9.139285 -0.917110 -0.256851
H -0.461920 -0.948963 -1.134933
H -0.486675 -1.346705 0.584046
H 0.461573 0.950624 1.128887
H 0.486495 1.348253 -0.590116
H -2.827673 -1.662883 -0.448092
H 2.827479 1.665264 0.438781
H -7.386285 -1.848352 1.194674
H 7.385360 1.848644 -1.206266
H -6.156164 1.433098 -1.329012
H 6.156574 -1.429259 1.322676
H -4.977636 -3.046802 0.044771
H -4.700610 -2.531745 -1.638469
H -6.338333 -2.709800 -1.028445
H 6.338320 2.713042 1.016571
H 4.977786 3.048638 -0.057310
H 4.700500 2.536191 1.626678
H -9.606082 -0.778127 1.500042
H 9.605074 0.778096 -1.511125
H -8.387607 2.492925 -1.025075
H 8.387935 -2.489398 1.019236
H -10.112690 1.386595 0.386116
H 10.112310 -1.384998 -0.394333


%chk=000222582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222582

0 1
O -2.007475 1.579458 0.203208
O 2.008176 -1.577959 -0.210083
N -3.013931 -0.543064 0.080244
N 3.014355 0.544882 -0.090714
N -4.305106 -0.043142 0.075661
N 4.305496 0.045029 -0.084819
C -0.575325 -0.420087 0.286934
C 0.575674 0.421270 -0.296148
C -1.911177 0.325010 0.181299
C 1.911623 -0.323531 -0.189837
C -6.674242 -0.290748 -0.029291
C 6.674542 0.293567 0.020874
C -5.313141 -0.895478 -0.052011
C 5.313354 0.898235 0.039170
C -7.850853 -1.083433 0.072320
C 7.851903 1.085435 -0.078276
C -6.818383 1.127410 -0.098804
C 6.817999 -1.124638 0.092687
C -5.116193 -2.397329 -0.210198
C 5.114135 2.400409 0.190637
C -9.129167 -0.481919 0.098451
C 9.130029 0.483267 -0.099910
C -8.092666 1.722985 -0.075667
C 8.092001 -1.720849 0.073883
C -9.258050 0.922145 0.021213
C 9.258090 -0.920724 -0.020654
H -0.602312 -1.404873 -0.214342
H -0.373860 -0.623647 1.357496
H 0.602165 1.406118 0.205100
H 0.374503 0.624631 -1.366803
H -2.826743 -1.554501 0.040993
H 2.827032 1.556326 -0.051998
H -7.785090 -2.173872 0.149834
H 7.787370 2.175837 -0.156957
H -5.911736 1.735548 -0.168046
H 5.910888 -1.732259 0.160288
H -4.779512 -2.866967 0.735733
H -4.358221 -2.620674 -0.987339
H -6.041163 -2.902130 -0.520765
H 6.041445 2.911157 0.483553
H 4.761302 2.862451 -0.753204
H 4.366870 2.625853 0.977595
H -10.022027 -1.111639 0.181390
H 10.023372 1.112554 -0.180897
H -8.181913 2.813484 -0.134883
H 8.180512 -2.811325 0.134638
H -10.249764 1.387659 0.037395
H 10.249616 -1.386735 -0.033450


