%chk=000253872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253872

0 1
S -1.801167 -1.089627 2.137904
O 3.513704 -2.511301 0.267823
O 4.101576 1.774254 -1.362255
N 2.082661 1.338629 -0.349173
N 3.811750 -0.375493 -0.548767
N 0.706447 -1.591931 1.189239
N -0.006813 0.558580 0.807367
N -4.935637 -0.185284 0.996761
C 1.748671 -0.920056 0.521581
C 1.281880 0.405179 0.298558
C 3.047073 -1.401883 0.113663
C 3.393202 0.964751 -0.795825
C -0.315148 -0.670603 1.338994
C 1.597822 2.722459 -0.568800
C 5.179492 -0.716410 -1.030956
C -2.810396 0.409979 2.001701
C -3.670012 0.278869 0.786246
C -3.193445 0.619799 -0.494231
C -4.048527 0.465089 -1.587414
C -5.751711 -0.327995 -0.078246
C -5.346076 -0.015345 -1.386346
H 0.748106 -2.554731 1.482650
H 0.705780 2.716812 -1.219194
H 2.388212 3.329687 -1.052283
H 1.327404 3.190786 0.394407
H 5.408620 -1.773734 -0.797523
H 5.931247 -0.071968 -0.543181
H 5.250770 -0.567691 -2.122334
H -2.184014 1.329592 1.972069
H -3.418332 0.471396 2.935974
H -2.175451 0.990366 -0.623598
H -3.705075 0.717662 -2.590936
H -6.759536 -0.705098 0.132597
H -6.029178 -0.145035 -2.221669


%chk=000253872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253872

0 1
S -1.761250 -1.222832 2.296248
O 3.646966 -2.531631 0.404910
O 4.008977 1.786335 -1.479589
N 2.001654 1.252928 -0.386362
N 3.808990 -0.350960 -0.536457
N 0.804675 -1.640131 1.293030
N -0.008425 0.434967 0.819107
N -4.910257 -0.202008 0.951654
C 1.812880 -0.967408 0.585374
C 1.280272 0.298662 0.312032
C 3.122297 -1.397261 0.182803
C 3.313088 0.947894 -0.839086
C -0.262733 -0.764864 1.414118
C 1.428422 2.583158 -0.662766
C 5.179188 -0.636101 -1.021546
C -2.790273 0.374704 2.016710
C -3.646385 0.301013 0.778861
C -3.164035 0.741409 -0.480793
C -4.017403 0.658625 -1.602636
C -5.719744 -0.277013 -0.142837
C -5.321591 0.138775 -1.434897
H 0.874372 -2.595259 1.644165
H 0.527413 2.487919 -1.293076
H 2.193861 3.169996 -1.190898
H 1.151269 3.080174 0.281913
H 5.422725 -1.666643 -0.724218
H 5.894204 0.074410 -0.575612
H 5.222626 -0.528321 -2.117562
H -2.051589 1.188726 1.981302
H -3.414303 0.431890 2.920434
H -2.140680 1.121551 -0.556986
H -3.673426 0.992547 -2.587384
H -6.722721 -0.682894 0.032546
H -6.015169 0.057349 -2.277696


