%chk=000201766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201766

0 1
O 2.681639 -3.081116 -0.596528
O -5.937706 1.099998 -1.461838
O -6.518517 2.219552 0.548904
O 4.428870 2.006020 -2.343086
O 4.544277 1.107533 2.380184
O 5.263710 2.695466 0.364547
N -1.770493 -1.890831 -0.209392
N 0.918729 -1.810173 -1.285550
C -0.949963 -3.145702 -0.291077
C -0.888539 -0.701434 0.032011
C 0.065881 -3.020229 -1.445173
C 0.117155 -0.569643 -1.131157
C -2.805036 -2.021078 0.871037
C -3.772542 -0.861343 0.826396
C 2.204710 -1.966221 -0.743372
C 2.987332 -0.712615 -0.456651
C -4.342428 -0.493887 -0.422235
C -4.112975 -0.197392 2.005831
C -5.242306 0.544479 -0.395096
C -5.591162 1.218250 0.814266
C -5.042930 0.868942 2.026569
C 3.350183 -0.452160 0.873456
C 3.367475 0.126197 -1.498285
C 4.139437 1.276908 -1.222672
C 4.112744 0.684305 1.138827
C -6.763581 2.169677 -0.894800
C 4.516695 1.564643 0.103661
C 5.251840 3.194192 -2.185818
C 4.428653 0.168833 3.479156
H -0.418180 -3.384166 0.655132
H -1.635622 -3.994587 -0.503783
H -1.534572 0.205050 0.060345
H -0.349948 -0.746332 1.001880
H -0.464904 -2.935209 -2.420387
H 0.711479 -3.929051 -1.488433
H 0.772093 0.313244 -0.973616
H -0.431621 -0.400473 -2.088379
H -3.379502 -2.960241 0.679779
H -2.361138 -2.128291 1.885787
H -4.058377 -1.008319 -1.339583
H -3.660731 -0.496478 2.950357
H -5.303600 1.377425 2.949654
H 3.056647 -1.138013 1.662639
H 3.096436 -0.087384 -2.533166
H -6.426134 3.120599 -1.327148
H -7.816479 1.899946 -1.049126
H 5.520713 2.715994 1.330449
H 4.747465 3.914708 -1.533010
H 6.231240 2.919885 -1.780330
H 5.321974 3.554088 -3.218102
H 4.924928 0.714732 4.291986
H 3.373798 -0.007772 3.708428
H 4.957683 -0.760428 3.245012


%chk=000201766-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201766

0 1
O 2.672017 -2.926255 -0.000608
O -5.821315 1.229738 -2.025591
O -7.111173 2.058965 -0.173343
O 3.681563 2.689134 -1.762542
O 5.976834 0.638178 1.984763
O 5.744977 2.691137 0.358294
N -1.961436 -1.802843 0.075543
N 0.840179 -1.612400 -0.591347
C -1.120338 -3.024178 0.023128
C -1.158654 -0.637914 0.515768
C 0.055002 -2.814564 -0.949997
C 0.019609 -0.388774 -0.450729
C -3.195707 -1.990115 0.875915
C -4.223082 -0.883957 0.654607
C 2.171815 -1.767587 -0.202688
C 3.038409 -0.542636 -0.063285
C -4.447698 -0.389961 -0.665050
C -4.981462 -0.383970 1.740398
C -5.433240 0.582699 -0.823233
C -6.191990 1.070508 0.263185
C -5.988902 0.606636 1.563585
C 4.049353 -0.580813 0.933639
C 2.972967 0.552005 -0.954420
C 3.878753 1.636987 -0.856851
C 4.935753 0.498876 1.039772
C -6.935132 2.139897 -1.648770
C 4.857183 1.623948 0.168282
C 4.870442 3.344338 -2.350184
C 6.178451 -0.457256 2.936146
H -0.714208 -3.293063 1.030803
H -1.739594 -3.869427 -0.331351
H -1.805792 0.257136 0.530713
H -0.756379 -0.788700 1.550896
H -0.345192 -2.678988 -1.974153
H 0.737149 -3.679261 -0.926778
H 0.638978 0.435224 -0.067481
H -0.385963 -0.098540 -1.440577
H -3.630008 -2.962941 0.567493
H -2.979328 -2.072650 1.971532
H -3.846939 -0.761867 -1.498911
H -4.789905 -0.767886 2.748983
H -6.570975 0.992483 2.404156
H 4.124194 -1.468008 1.567336
H 2.249079 0.579119 -1.773728
H -6.662340 3.173479 -1.920795
H -7.862648 1.796193 -2.140639
H 6.329446 2.455665 1.130028
H 5.472006 3.846144 -1.576376
H 5.492931 2.601978 -2.885591
H 4.459973 4.074075 -3.064415
H 7.028012 -0.149589 3.563054
H 5.278940 -0.602754 3.563583
H 6.420190 -1.397547 2.406329


