%chk=000254597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254597

0 1
O -1.262251 2.297067 0.365684
O 1.319560 2.208568 0.205764
N -3.503110 1.357374 -0.045763
N 3.380538 1.140153 -0.417740
C -1.489006 -0.122253 0.208244
C 1.356725 -0.219903 0.035866
C -0.740630 1.034326 0.259394
C 0.699268 0.982046 0.167904
C -0.821932 -1.393738 0.118887
C 0.597909 -1.444426 0.032302
C -2.993090 -0.018487 0.252288
C 2.853963 -0.233117 -0.122351
C -2.703926 2.357703 0.671595
C 2.752080 2.166418 0.456467
C -1.555749 -2.618645 0.118053
C 1.236978 -2.717974 -0.054881
C -3.572451 1.628323 -1.511637
C 4.865621 1.184623 -0.302357
C -0.912049 -3.831333 0.034246
C 0.503263 -3.881720 -0.053895
H -3.459187 -0.737283 -0.458143
H -3.361088 -0.294658 1.269244
H 3.319072 -0.699920 0.775485
H 3.125850 -0.860295 -1.006927
H -2.940040 3.397709 0.372506
H -2.795946 2.216035 1.766913
H 2.880612 2.009862 1.545780
H 3.059884 3.185298 0.141082
H -2.642030 -2.585156 0.186946
H 2.322338 -2.764213 -0.122881
H -4.024560 2.619258 -1.676786
H -4.230531 0.884173 -1.987287
H -2.593762 1.604534 -2.018877
H 5.300000 0.457686 -1.009941
H 5.262995 0.970863 0.701066
H 5.221105 2.180321 -0.617736
H -1.475721 -4.762423 0.034571
H 0.995000 -4.850294 -0.120385


%chk=000254597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254597

0 1
O -1.281943 2.357915 0.355358
O 1.363510 2.250613 0.278380
N -3.501326 1.366723 -0.118686
N 3.411550 1.130744 -0.318771
C -1.499186 -0.106415 0.194413
C 1.377864 -0.207606 0.072472
C -0.736867 1.072362 0.247424
C 0.706352 1.014236 0.193433
C -0.828204 -1.380473 0.138383
C 0.618753 -1.432627 0.074992
C -3.027932 -0.009614 0.197848
C 2.894081 -0.230723 -0.084340
C -2.784221 2.332679 0.657898
C 2.803469 2.101228 0.575887
C -1.559093 -2.614683 0.140209
C 1.259415 -2.713257 0.006472
C -3.600010 1.663577 -1.568223
C 4.869639 1.222368 -0.466849
C -0.905291 -3.849799 0.077801
C 0.518338 -3.899734 0.008468
H -3.460305 -0.697031 -0.550853
H -3.440759 -0.310786 1.182397
H 3.370007 -0.712682 0.811599
H 3.163093 -0.853059 -0.959723
H -3.097502 3.363224 0.438050
H -2.874146 2.101989 1.735173
H 2.872439 1.813275 1.656613
H 3.243992 3.097547 0.419958
H -2.652326 -2.595099 0.200910
H 2.352430 -2.768344 -0.040263
H -3.962768 2.697656 -1.700330
H -4.335170 0.981222 -2.029010
H -2.633724 1.561597 -2.107876
H 5.196480 0.570120 -1.296665
H 5.436271 0.918060 0.448156
H 5.154247 2.258950 -0.720953
H -1.484437 -4.779825 0.083617
H 1.028982 -4.867824 -0.040668


