%chk=000269942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269942

0 1
O -2.375628 1.850379 -0.912851
O -3.427182 -0.294617 0.660208
O 3.812576 0.935230 -1.060125
N 2.509472 -1.957573 -1.053811
N 2.534710 0.793331 0.822685
C 1.939824 -0.592352 -1.187802
C 0.506595 -0.508373 -0.718844
C -0.076754 -1.527525 0.045118
C 0.683315 -2.779132 0.378419
C 2.204145 -2.589387 0.262086
C -0.240203 0.634384 -1.064186
C -1.407815 -1.398465 0.476297
C 2.840267 0.463823 -0.488519
C -1.559090 0.763730 -0.642938
C -2.155011 -0.265640 0.143008
C 3.339720 1.786098 1.562303
C -1.871207 2.844886 -1.837506
C -4.330144 0.788354 0.320412
H 1.978992 -0.355331 -2.293652
H 0.427270 -3.146012 1.391216
H 0.358804 -3.576044 -0.330725
H 2.585324 -2.008142 1.129724
H 2.711454 -3.579198 0.286375
H 3.524494 -1.930030 -1.217399
H 0.229151 1.412615 -1.663484
H -1.882573 -2.180715 1.068412
H 1.693826 0.455774 1.279801
H 4.210831 2.107422 0.954517
H 3.722778 1.349630 2.499015
H 2.745187 2.683128 1.799754
H -1.657177 2.391207 -2.809645
H -0.992698 3.343064 -1.417305
H -2.720714 3.536296 -1.903935
H -4.474666 0.832039 -0.763802
H -3.937746 1.736925 0.703248
H -5.246225 0.487623 0.841033


%chk=000269942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269942

0 1
O -2.330292 2.040765 -0.719860
O -3.426835 -0.026378 0.917198
O 4.189385 0.278953 -0.853941
N 2.370883 -2.018768 -1.136326
N 2.554771 1.049680 0.620081
C 1.920261 -0.607485 -1.180822
C 0.496310 -0.472124 -0.654783
C -0.093846 -1.487640 0.140303
C 0.648933 -2.783940 0.438034
C 2.163391 -2.646039 0.190950
C -0.243943 0.700112 -0.959617
C -1.415774 -1.294656 0.610962
C 2.981018 0.300998 -0.455231
C -1.558606 0.888272 -0.481008
C -2.159939 -0.135366 0.318424
C 3.460435 1.904401 1.397531
C -1.717891 3.110667 -1.511014
C -4.574115 0.323799 0.053175
H 1.953521 -0.283542 -2.239077
H 0.459158 -3.105783 1.480130
H 0.256645 -3.578732 -0.226554
H 2.629056 -2.065163 1.024521
H 2.637560 -3.643152 0.179690
H 3.350153 -2.075734 -1.451296
H 0.226114 1.468111 -1.583737
H -1.904370 -2.058516 1.226194
H 1.564865 0.999337 0.872452
H 4.466170 1.809319 0.957421
H 3.499295 1.586599 2.455740
H 3.147137 2.964032 1.355213
H -1.471639 2.766648 -2.534317
H -0.804448 3.499934 -1.020753
H -2.478639 3.903614 -1.558991
H -4.689547 -0.424335 -0.755073
H -4.452535 1.329977 -0.379093
H -5.448740 0.289537 0.720576


