%chk=000234316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234316

0 1
O 1.527969 2.219262 -1.332191
O -4.564893 0.201022 1.931068
N 4.043109 0.122572 -0.224497
N 1.271089 -0.043889 -0.921411
N -5.115187 -0.643408 -0.099310
N -6.497086 -0.758595 0.199457
C 3.516401 0.865575 -1.407776
C 5.304181 -0.622286 -0.548061
C 4.229286 1.043750 0.949353
C -0.103797 -0.025121 -0.494082
C -0.435865 -0.610268 0.753983
C -1.111697 0.519536 -1.325322
C 2.016682 1.112891 -1.198111
C -1.775539 -0.643236 1.157910
C -2.444881 0.480335 -0.888427
C -2.771212 -0.102611 0.337832
C 4.993544 -1.833756 -1.427048
C 3.959363 0.263284 2.235251
C 0.607971 -1.202766 1.643159
C -0.796419 1.129079 -2.647592
C -4.184467 -0.142923 0.823241
H 4.010302 1.846181 -1.592026
H 3.662386 0.267454 -2.335815
H 5.746419 -0.971971 0.413070
H 6.070004 0.019421 -1.035291
H 5.240032 1.503638 0.978603
H 3.508529 1.890890 0.879544
H 1.799348 -0.882976 -0.644521
H -2.047878 -1.073737 2.123472
H -3.223319 0.923161 -1.510036
H 4.636560 -1.543675 -2.422001
H 4.216154 -2.463056 -0.974596
H 5.885637 -2.455428 -1.564079
H 4.037763 0.913438 3.113358
H 4.657387 -0.570303 2.368547
H 2.941015 -0.166498 2.223934
H 1.505354 -0.555967 1.732433
H 0.240021 -1.360852 2.666841
H 0.943391 -2.180804 1.269741
H -0.265891 2.094305 -2.504603
H -0.128796 0.492699 -3.244392
H -1.686701 1.335310 -3.251916
H -4.878128 -1.000196 -1.024174
H -6.873526 0.172643 0.433068
H -6.618315 -1.320823 1.055512


%chk=000234316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234316

0 1
O 1.442381 2.489420 -1.497843
O -4.678234 -0.493549 1.855911
N 3.994457 0.152229 -0.216922
N 1.324287 0.351574 -0.483437
N -5.159276 -0.649150 -0.405379
N -6.546178 -0.882784 -0.194036
C 3.502772 1.187355 -1.167226
C 5.037275 -0.743340 -0.802741
C 4.406697 0.780030 1.078781
C -0.074800 0.180377 -0.253638
C -0.491132 -0.227942 1.052731
C -1.027313 0.363677 -1.301908
C 1.977955 1.428372 -1.062821
C -1.862682 -0.426652 1.301123
C -2.396057 0.164711 -1.002269
C -2.829268 -0.232928 0.285651
C 4.465708 -1.729058 -1.838165
C 4.533043 -0.215787 2.245191
C 0.525386 -0.432405 2.161076
C -0.612607 0.714274 -2.715159
C -4.269878 -0.456390 0.651406
H 4.001429 2.170262 -1.034895
H 3.702308 0.866986 -2.206402
H 5.481971 -1.322987 0.024680
H 5.864900 -0.147274 -1.257857
H 5.364425 1.342152 0.955959
H 3.632550 1.528994 1.332046
H 2.014666 -0.312795 -0.079255
H -2.214121 -0.717275 2.296731
H -3.120116 0.351912 -1.804560
H 4.023271 -1.212927 -2.709384
H 3.682345 -2.358369 -1.380379
H 5.267523 -2.388939 -2.217028
H 4.738678 0.332670 3.182438
H 5.355977 -0.937760 2.100455
H 3.595555 -0.783818 2.376297
H 1.184078 0.449286 2.271505
H 0.021380 -0.608731 3.125346
H 1.179342 -1.306257 1.966592
H -0.269162 1.762419 -2.775629
H 0.236120 0.086294 -3.046857
H -1.448489 0.564407 -3.419559
H -4.842100 -0.773522 -1.366174
H -6.998555 -0.024273 0.153663
H -6.670215 -1.641188 0.494039


