%chk=000242440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242440

0 1
S -1.049227 0.675644 -0.164244
O 1.816321 -2.120724 1.599403
O -0.570022 0.676378 -1.539932
O -0.749959 1.773404 0.729458
N -0.440510 -0.751920 0.586172
C 1.817231 -1.816584 0.183340
C 0.330594 -1.693625 -0.257924
C 2.616805 -0.530174 0.071260
C 2.506871 -2.950244 -0.578991
C 2.446657 0.330687 -1.021290
C 3.567720 -0.224239 1.056241
C -2.760053 0.408253 -0.177474
C 3.225640 1.486546 -1.126287
C 4.342560 0.933232 0.948071
C 4.174916 1.789136 -0.145084
C -3.529262 0.769311 0.932595
C -3.367795 -0.159582 -1.301210
C -4.910676 0.551618 0.923837
C -4.748748 -0.377522 -1.311615
C -5.518156 -0.023571 -0.197534
H -0.162342 -2.690262 -0.170268
H 0.281445 -1.417449 -1.339003
H 1.952145 -3.891343 -0.535410
H 3.505756 -3.137886 -0.159344
H 2.651092 -2.693567 -1.635879
H 0.012728 -0.639587 1.512818
H 1.691129 0.126148 -1.786200
H 3.687803 -0.891282 1.912692
H 1.402748 -2.987689 1.769979
H 3.080932 2.157270 -1.972130
H 5.074057 1.169556 1.718218
H -3.055829 1.232617 1.805001
H -2.766388 -0.422816 -2.178000
H 4.776255 2.692151 -0.228471
H -5.511343 0.832663 1.787505
H -5.224172 -0.818257 -2.186267
H -6.595426 -0.193689 -0.204834


%chk=000242440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242440

0 1
S -0.945470 0.437715 -0.353098
O 1.825713 -2.381326 1.501018
O -0.595179 0.394668 -1.950098
O -0.420876 1.629432 0.627488
N -0.478258 -1.259590 0.314628
C 1.951590 -1.967733 0.073240
C 0.509726 -1.981197 -0.518955
C 2.587070 -0.570581 0.084810
C 2.846997 -2.975926 -0.682723
C 2.643881 0.193626 -1.108645
C 3.167993 -0.046338 1.264894
C -2.826275 0.378920 -0.184495
C 3.271430 1.457479 -1.120174
C 3.794049 1.220150 1.252197
C 3.850777 1.976090 0.060175
C -3.398453 1.034945 0.915990
C -3.565306 -0.288080 -1.173893
C -4.807874 1.004158 1.035400
C -4.972453 -0.306286 -1.037121
C -5.588617 0.332471 0.065855
H 0.165230 -3.033643 -0.588494
H 0.481601 -1.558270 -1.541838
H 2.400185 -3.990337 -0.680694
H 3.840670 -3.022929 -0.205713
H 2.987054 -2.667469 -1.733596
H -0.121875 -1.112416 1.281771
H 2.185141 -0.175997 -2.032285
H 3.117636 -0.635246 2.184081
H 1.619369 -3.350574 1.527366
H 3.292286 2.042054 -2.046380
H 4.232585 1.617285 2.174829
H -2.764570 1.565788 1.633732
H -3.061764 -0.755616 -2.025693
H 4.330361 2.961389 0.051844
H -5.290407 1.506462 1.880223
H -5.583020 -0.814526 -1.790678
H -6.679452 0.314050 0.164229


