%chk=000273950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273950

0 1
S 0.150270 0.043019 0.535269
O -0.322628 -0.684226 1.699431
O -0.339141 1.386296 0.272980
N -0.243582 -0.903421 -0.844251
C -1.266458 -1.981246 -0.707836
C -2.690665 -1.494964 -1.060260
C -3.232856 -0.465292 -0.062595
C -4.732050 -0.215545 -0.274872
C -0.860730 -3.139693 -1.631765
C -5.261939 0.845914 0.699853
C 1.873875 0.068604 0.514875
C -6.753929 1.103399 0.500636
C 2.550007 1.217937 0.089492
C 2.599610 -1.050860 0.935461
C 4.676866 0.121170 0.488794
C 3.943933 1.247482 0.073854
C 3.994612 -1.028970 0.922360
C 6.168377 0.154069 0.487444
H -1.254649 -2.344948 0.358420
H -2.714064 -1.075474 -2.083279
H -3.365667 -2.373551 -1.088932
H -3.050979 -0.807015 0.977389
H -2.680309 0.493117 -0.159814
H -4.918281 0.107540 -1.316757
H -5.296381 -1.158389 -0.144181
H -0.325415 -0.410264 -1.741238
H -1.504207 -4.011751 -1.476908
H 0.173565 -3.450165 -1.437825
H -0.918701 -2.864780 -2.690055
H -5.071943 0.526268 1.743476
H -4.696903 1.790487 0.569816
H -6.969592 1.460815 -0.512395
H -7.119765 1.862418 1.201157
H -7.345216 0.195269 0.662046
H 1.981528 2.101945 -0.225476
H 2.075377 -1.946821 1.283892
H 4.463505 2.145089 -0.255586
H 4.553322 -1.902318 1.252670
H 6.612235 -0.838731 0.329589
H 6.574955 0.813994 -0.291574
H 6.548416 0.525490 1.452693


%chk=000273950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273950

0 1
S 0.126227 -0.056240 0.633821
O -0.273727 -1.025728 1.884047
O -0.430929 1.476685 0.504664
N -0.287953 -1.013086 -0.940279
C -1.321264 -2.088554 -0.763200
C -2.772775 -1.609822 -1.026587
C -3.314223 -0.577682 -0.012271
C -4.774387 -0.164392 -0.306344
C -0.914205 -3.252946 -1.694806
C -5.325634 0.859790 0.711870
C 2.004066 0.033884 0.556044
C -6.777260 1.289372 0.408867
C 2.586815 1.202287 0.044974
C 2.747665 -1.055571 1.037666
C 4.798855 0.194530 0.470252
C 3.998387 1.269750 0.005472
C 4.154322 -0.962019 0.988612
C 6.313934 0.281500 0.443168
H -1.235751 -2.420099 0.291849
H -2.832668 -1.196156 -2.057362
H -3.430351 -2.502986 -1.017257
H -3.247094 -1.001792 1.009892
H -2.679452 0.331728 -0.007863
H -4.838002 0.266967 -1.328039
H -5.424296 -1.065240 -0.308382
H -0.593197 -0.270240 -1.601849
H -1.580345 -4.120251 -1.531224
H 0.126334 -3.560011 -1.497391
H -0.990409 -2.956107 -2.757198
H -5.271029 0.424208 1.730121
H -4.666543 1.751039 0.722289
H -6.851076 1.760599 -0.589780
H -7.147757 2.017786 1.153577
H -7.460047 0.418390 0.419170
H 1.958215 2.035316 -0.285768
H 2.243462 -1.932912 1.454647
H 4.480579 2.171613 -0.388094
H 4.760197 -1.796769 1.359967
H 6.762631 -0.633004 0.014792
H 6.661568 1.142782 -0.151830
H 6.721519 0.395278 1.465758


