%chk=000268255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268255

0 1
S 2.039715 1.423613 0.432082
O 2.776995 2.105402 -0.610513
O 2.350313 1.750467 1.801900
N 0.334918 1.615205 0.155697
C -0.211759 0.488768 -0.673654
C 0.767571 -0.672310 -0.412023
C 1.998152 -0.284452 0.149289
C -1.606867 0.113630 -0.178995
C -0.174555 0.818901 -2.175363
C -0.172355 2.973936 -0.119726
C 0.519029 -2.009864 -0.701981
C 2.985101 -1.217362 0.423976
C -1.930413 0.258214 1.179348
C -2.565113 -0.413545 -1.057411
C 1.519570 -2.956315 -0.428122
C 2.741505 -2.568303 0.126758
C -3.195488 -0.106674 1.647104
C -3.829544 -0.779179 -0.586069
C -4.148873 -0.625699 0.766020
H 0.804393 1.220822 -2.477296
H -0.925448 1.572995 -2.440047
H -0.358816 -0.066175 -2.794392
H -1.270668 2.957097 -0.232733
H 0.053124 3.617660 0.751288
H 0.264045 3.437127 -1.021571
H -0.436351 -2.321239 -1.121955
H 3.937355 -0.916826 0.866056
H -1.191779 0.664269 1.875850
H -2.338903 -0.543121 -2.114332
H 1.335608 -4.008684 -0.650798
H 3.507777 -3.313692 0.334334
H -3.436586 0.013645 2.702360
H -4.567290 -1.184230 -1.276467
H -5.133964 -0.909381 1.131185


%chk=000268255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268255

0 1
S 2.128015 1.552531 0.308474
O 2.863884 2.222887 -0.991900
O 2.604003 2.042873 1.778949
N 0.238823 1.603347 0.199252
C -0.219184 0.456005 -0.678669
C 0.772357 -0.683253 -0.356527
C 2.030203 -0.307814 0.135280
C -1.646787 0.092161 -0.214956
C -0.115997 0.775127 -2.199008
C -0.250370 2.963389 -0.115871
C 0.533486 -2.059415 -0.560372
C 3.066509 -1.197085 0.446268
C -1.902873 -0.036849 1.175874
C -2.701371 -0.142823 -1.129828
C 1.553026 -2.993920 -0.265028
C 2.810465 -2.572524 0.235185
C -3.185653 -0.392792 1.639394
C -3.989119 -0.501619 -0.664816
C -4.235956 -0.628299 0.719520
H 0.905184 1.122472 -2.436270
H -0.831291 1.562826 -2.492996
H -0.321854 -0.123403 -2.805867
H -1.351215 2.951129 -0.027617
H 0.146366 3.659040 0.643002
H 0.033062 3.331975 -1.122006
H -0.443376 -2.395223 -0.924687
H 4.024725 -0.846306 0.841270
H -1.091149 0.167464 1.881699
H -2.533513 -0.046983 -2.206993
H 1.364042 -4.061903 -0.416973
H 3.584804 -3.311268 0.465948
H -3.369252 -0.484603 2.715661
H -4.795892 -0.679122 -1.384793
H -5.233703 -0.903324 1.079200


