%chk=000188889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188889

0 1
S 3.848491 -0.825040 -0.305555
O 1.179206 -0.859947 -0.154947
N 2.073182 1.188588 -0.058731
C 0.681135 1.696131 0.099665
C 0.021355 1.905695 -1.273231
C -1.455258 2.299179 -1.131158
C 3.183771 2.184270 -0.037414
C 1.224151 -2.349764 -0.271461
C -2.284258 1.181593 -0.555150
C 2.324249 -0.147461 -0.169078
C -0.121935 -2.719234 0.360448
C 3.672756 2.439555 1.384652
C 1.321771 -2.684487 -1.746774
C -2.579862 0.050705 -1.333331
C -2.763100 1.258428 0.761304
C -0.012440 -2.919879 1.867286
C -3.342813 -0.989409 -0.797827
C -3.527156 0.214924 1.291958
C -3.817880 -0.910715 0.515695
H 0.088588 0.956009 0.694706
H 0.698281 2.639940 0.683792
H 0.108035 0.971179 -1.867870
H 0.563580 2.680891 -1.846828
H -1.855348 2.582904 -2.127997
H -1.546725 3.216326 -0.514937
H 4.027483 1.815799 -0.673529
H 2.815336 3.123772 -0.505622
H 2.096750 -2.717973 0.311060
H -0.860655 -1.914012 0.139468
H -0.524044 -3.631931 -0.119975
H 2.875501 2.794028 2.045654
H 4.084467 1.521159 1.832135
H 4.475316 3.186296 1.393278
H 1.270268 -3.765794 -1.917142
H 2.281238 -2.340418 -2.167026
H 0.525944 -2.208206 -2.330445
H -2.211728 -0.016924 -2.355015
H -2.543081 2.130253 1.373234
H 0.389122 -2.024236 2.359307
H 0.646900 -3.757709 2.122247
H -0.993267 -3.124712 2.311410
H -3.570728 -1.863239 -1.406163
H -3.896634 0.280451 2.314164
H -4.412863 -1.721283 0.930242


%chk=000188889-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188889

0 1
S 4.018078 -0.827220 -0.279400
O 1.259651 -0.974578 -0.223430
N 2.095080 1.125667 -0.018735
C 0.687906 1.584059 0.113090
C 0.023801 1.861894 -1.255335
C -1.444416 2.353279 -1.114107
C 3.157394 2.159205 0.027324
C 1.359448 -2.465951 -0.382865
C -2.385719 1.302470 -0.535068
C 2.415212 -0.201105 -0.171491
C 0.126008 -3.035834 0.335714
C 3.660365 2.427587 1.460777
C 1.417854 -2.791076 -1.880573
C -2.705677 0.135743 -1.278815
C -2.955128 1.453423 0.754888
C 0.138192 -2.804516 1.860491
C -3.565842 -0.850919 -0.749112
C -3.817086 0.468204 1.291201
C -4.125262 -0.688982 0.540767
H 0.110341 0.820109 0.656776
H 0.697800 2.506444 0.725507
H 0.051932 0.932078 -1.852639
H 0.611675 2.623222 -1.805368
H -1.801019 2.657656 -2.117838
H -1.465885 3.263760 -0.483085
H 3.995092 1.812048 -0.601772
H 2.740695 3.081640 -0.419819
H 2.299458 -2.776904 0.113787
H -0.783941 -2.587246 -0.108992
H 0.090135 -4.121747 0.116666
H 2.838259 2.749928 2.126000
H 4.114960 1.512120 1.875839
H 4.427172 3.223736 1.451292
H 1.498358 -3.884187 -2.025487
H 2.300964 -2.317170 -2.341360
H 0.505035 -2.437091 -2.393253
H -2.281812 0.003108 -2.282544
H -2.725655 2.351237 1.342753
H 0.164393 -1.724860 2.090054
H 1.023030 -3.273903 2.329823
H -0.765268 -3.230985 2.332705
H -3.806042 -1.741176 -1.341987
H -4.247645 0.605099 2.289806
H -4.794785 -1.452565 0.952316


