%chk=000240912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240912

0 1
S 0.000444 -0.000103 -2.301048
O 5.726617 0.766833 -0.060474
O -5.726946 -0.766163 -0.060415
N 0.764156 -0.851588 0.162140
N -0.763962 0.850948 0.162106
N 3.176234 -0.498332 0.119823
N -3.176164 0.498238 0.119726
C 0.572763 -0.519651 1.616641
C -0.572744 0.518910 1.616607
C 2.063403 -1.416661 -0.282887
C -2.063087 1.416275 -0.283000
C 0.000077 -0.000362 -0.632181
C 3.439344 0.551276 -0.917079
C 4.433069 -1.255946 0.424534
C -3.439666 -0.551282 -0.917177
C -4.432754 1.256216 0.424543
C 4.527391 1.499190 -0.393106
C 5.489755 -0.255767 0.925228
C -4.527963 -1.498875 -0.393145
C -5.489705 0.256344 0.925292
H 1.505037 -0.112897 2.064173
H 0.303623 -1.448150 2.157674
H -1.505080 0.112163 2.064019
H -0.303628 1.447369 2.157719
H 2.005637 -1.604229 -1.387156
H 2.176093 -2.404158 0.227922
H -2.005258 1.603847 -1.387269
H -2.175574 2.403794 0.227804
H 2.497517 1.116553 -1.099631
H 3.747678 0.120941 -1.895135
H 4.828521 -1.804503 -0.458195
H 4.218877 -2.004132 1.216168
H -2.498033 -1.116858 -1.099810
H -3.747942 -0.120844 -1.895205
H -4.828104 1.804911 -0.458146
H -4.218282 2.004319 1.216178
H 4.884840 2.194190 -1.173483
H 4.192389 2.059569 0.496839
H 5.184463 0.220524 1.873405
H 6.485444 -0.721347 1.030482
H -4.885677 -2.193753 -1.173508
H -4.193069 -2.059371 0.496767
H -5.184488 -0.220060 1.873436
H -6.485246 0.722221 1.030627


%chk=000240912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240912

0 1
S 0.000419 -0.000650 -2.341845
O 5.965281 0.748966 -0.114133
O -5.965953 -0.747291 -0.113995
N 0.936847 -0.614383 0.201911
N -0.936585 0.612757 0.201789
N 3.362169 -0.497693 0.122045
N -3.361960 0.497591 0.121897
C 0.696051 -0.348362 1.639997
C -0.696079 0.346614 1.639896
C 2.155128 -1.269159 -0.256811
C -2.154439 1.268248 -0.257058
C 0.000016 -0.001069 -0.620133
C 3.550952 0.731869 -0.696470
C 4.601854 -1.314791 0.132974
C -3.551673 -0.731839 -0.696602
C -4.601083 1.315534 0.132951
C 4.724612 1.545087 -0.131234
C 5.764146 -0.470806 0.684588
C -4.725828 -1.544257 -0.131239
C -5.763887 0.472343 0.684701
H 1.500047 0.294568 2.042013
H 0.693404 -1.293346 2.213801
H -1.500182 -0.296323 2.041685
H -0.693498 1.291546 2.213789
H 2.038511 -1.401560 -1.356656
H 2.237945 -2.266984 0.218805
H -2.037738 1.400449 -1.356919
H -2.236656 2.266177 0.218444
H 2.623578 1.332237 -0.668032
H 3.752589 0.477651 -1.764446
H 4.871369 -1.675294 -0.890467
H 4.450317 -2.200008 0.780582
H -2.624706 -1.332834 -0.668267
H -3.753247 -0.477480 -1.764555
H -4.870461 1.676212 -0.890463
H -4.448871 2.200653 0.780536
H 4.946265 2.419350 -0.764948
H 4.484194 1.881631 0.900919
H 5.552129 -0.196414 1.741086
H 6.718117 -1.020761 0.627159
H -4.948146 -2.418364 -0.764935
H -4.485528 -1.880971 0.900885
H -5.551935 0.197804 1.741174
H -6.717488 1.022951 0.627384


