%chk=000251036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251036

0 1
S -0.588946 1.825825 -0.136477
N 3.273080 -0.616285 0.024633
N 2.111994 -2.615752 0.438161
N 4.503472 1.342185 -0.385730
C 0.861533 0.821088 -0.060736
C -1.947142 0.732189 0.130747
C 0.824824 -0.537113 0.228669
C 2.056160 1.492739 -0.309266
C 2.063266 -1.229843 0.251200
C 3.252048 0.733850 -0.244922
C -2.581363 0.747386 1.374249
C -2.413157 -0.063380 -0.918071
C -3.715137 -0.050023 1.567331
C -3.544604 -0.860339 -0.714165
C -4.194258 -0.851630 0.525509
H -0.103440 -1.063782 0.415069
H 2.084871 2.554961 -0.522669
H -2.203438 1.370096 2.186549
H -1.905324 -0.066554 -1.883854
H -4.223440 -0.045782 2.530180
H -3.920669 -1.485590 -1.522405
H -5.077074 -1.471099 0.679430
H 3.019027 -3.035093 0.597655
H 1.350108 -3.055807 0.927273
H 4.556964 2.210545 -0.891840
H 5.310344 0.739807 -0.483422


%chk=000251036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251036

0 1
S -0.527800 1.933539 0.572348
N 3.276673 -0.660489 -0.176718
N 2.247928 -2.593253 0.619547
N 4.406058 1.208284 -0.990110
C 0.927993 0.849965 0.249986
C -1.957612 0.774280 0.456475
C 0.941179 -0.519110 0.582711
C 2.070069 1.477088 -0.291787
C 2.147992 -1.238804 0.336244
C 3.234311 0.673252 -0.475142
C -2.917203 0.798261 1.495210
C -2.151427 -0.049554 -0.678444
C -4.079684 -0.002352 1.394505
C -3.304903 -0.860935 -0.762190
C -4.274485 -0.835902 0.269619
H 0.068638 -1.011668 1.019056
H 2.060498 2.533346 -0.574654
H -2.751941 1.430671 2.373662
H -1.408001 -0.055572 -1.482003
H -4.823416 0.021267 2.198706
H -3.451831 -1.500723 -1.639564
H -5.172334 -1.459389 0.195410
H 3.137007 -3.054516 0.444505
H 1.466784 -3.114884 1.003861
H 4.482512 2.191868 -1.228057
H 5.202696 0.587929 -1.110080


