%chk=000257104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257104

0 1
S -0.909476 -1.913182 1.476794
O -1.641192 -0.755842 -2.113623
N 0.249890 -0.521420 -0.937000
C -1.921824 -0.945140 0.298340
C -2.208006 0.431586 0.915891
C -3.199142 -1.769431 0.088323
C -3.043707 1.341961 0.004808
C -1.144948 -0.769607 -1.002358
C -3.266429 2.717588 0.647636
C -2.973251 -3.125520 -0.570605
C 1.069967 -0.594112 0.220488
C 0.652087 -1.159657 1.366259
C -4.100750 3.627213 -0.251040
C 2.422403 0.000343 0.061363
C 3.557702 -0.806811 0.227410
C 2.564206 1.361837 -0.245984
C 4.831341 -0.249693 0.085496
C 3.841145 1.912008 -0.384099
C 4.974109 1.107961 -0.219619
H -1.253736 0.938818 1.170027
H -2.732082 0.296068 1.885567
H -3.895113 -1.174703 -0.547925
H -3.719683 -1.900977 1.059753
H -2.549911 1.461262 -0.980750
H -4.020362 0.867218 -0.216308
H -2.291340 3.197492 0.861854
H -3.767760 2.600182 1.628542
H -2.527546 -3.016157 -1.570142
H -2.314043 -3.777987 0.014394
H -3.923221 -3.657353 -0.700230
H 0.715163 -0.313484 -1.828835
H 1.263947 -1.217891 2.263271
H -5.091720 3.202281 -0.448638
H -3.617766 3.790026 -1.221734
H -4.251367 4.609895 0.209646
H 3.443606 -1.864994 0.463930
H 1.681370 1.988666 -0.369849
H 5.714054 -0.875264 0.212900
H 3.953465 2.969603 -0.619702
H 5.968223 1.539615 -0.328950


%chk=000257104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257104

0 1
S -0.921894 -2.238608 1.366542
O -1.707092 -0.908868 -2.261954
N 0.209459 -0.624221 -1.011895
C -1.955102 -1.092585 0.185184
C -2.147691 0.280390 0.894108
C -3.303052 -1.807864 -0.070110
C -2.939990 1.329550 0.074473
C -1.156643 -0.902030 -1.119583
C -2.982852 2.699977 0.789571
C -3.220809 -3.240757 -0.636492
C 1.048359 -0.684989 0.135852
C 0.656568 -1.373555 1.253367
C -3.786634 3.757214 0.002528
C 2.348499 0.028691 0.028224
C 3.505520 -0.459394 0.697561
C 2.467450 1.209623 -0.757425
C 4.735930 0.220791 0.597590
C 3.703681 1.883260 -0.864622
C 4.843394 1.394947 -0.186077
H -1.155809 0.699718 1.153444
H -2.669200 0.087133 1.852523
H -3.863366 -1.181428 -0.787824
H -3.869998 -1.804332 0.881960
H -2.487239 1.453660 -0.929307
H -3.976842 0.978346 -0.093511
H -1.946372 3.062523 0.947282
H -3.424357 2.573340 1.799320
H -2.695851 -3.247180 -1.606647
H -2.695744 -3.928874 0.049232
H -4.239610 -3.636763 -0.800628
H 0.660321 -0.429236 -1.912119
H 1.270733 -1.400329 2.154324
H -4.833871 3.431760 -0.143274
H -3.347019 3.924917 -0.998736
H -3.804832 4.727903 0.531236
H 3.443609 -1.390095 1.272399
H 1.583595 1.621686 -1.258719
H 5.616497 -0.172931 1.117234
H 3.774014 2.793753 -1.470043
H 5.802544 1.917256 -0.269688


