%chk=000260908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260908

0 1
S 2.500627 1.458344 0.120658
O -1.093002 2.980600 -0.267177
O 0.177781 0.494146 -2.333479
N -2.261409 0.979006 0.055783
N -3.758935 0.553083 1.747051
N -2.170975 -1.316450 -0.958007
N -3.632399 -2.903209 0.203052
N -4.953923 -2.319614 2.075351
C 1.058989 2.072715 -0.779826
C 0.024370 0.962862 -0.998070
C -1.345378 1.708693 -0.854927
C 0.338434 3.123763 0.080515
C 0.681638 4.560074 -0.248330
C -2.604283 -0.372169 -0.054403
C -2.997451 1.492104 1.175905
C 3.291592 0.399351 -1.139656
C -3.541613 -0.622711 1.007192
C 4.049744 -0.626143 -0.365478
C -4.056783 -1.950311 1.110950
C -2.730812 -2.541776 -0.762118
C 3.444934 -1.848776 -0.030353
C 5.372582 -0.373837 0.032822
C 4.158995 -2.806857 0.693125
C 6.080631 -1.336695 0.756720
C 5.477033 -2.553950 1.087343
H 1.369606 2.491060 -1.769531
H 0.121371 0.107102 -0.291319
H -1.856553 1.899290 -1.830443
H 0.393871 2.910951 1.171262
H 0.072320 5.257027 0.344422
H 1.738118 4.776791 -0.042057
H 0.486624 4.798150 -1.303135
H -0.386536 -0.316943 -2.463293
H -2.903367 2.530710 1.471597
H 3.945210 1.012868 -1.788805
H 2.522799 -0.048560 -1.806947
H -2.428258 -3.344721 -1.456650
H 2.417461 -2.049617 -0.329180
H 5.847945 0.572982 -0.217368
H -5.303418 -3.263808 2.122070
H -5.283611 -1.644233 2.748534
H 3.686196 -3.753140 0.951946
H 7.105747 -1.136634 1.064693
H 6.030586 -3.302118 1.650959


%chk=000260908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260908

0 1
S 2.626800 1.366837 0.406288
O -1.119885 2.940734 -0.111778
O 0.129576 -0.279649 -1.362383
N -2.554328 1.021071 0.032285
N -4.551020 0.854319 1.152707
N -2.264687 -1.367513 -0.625550
N -4.120059 -2.767563 0.154635
N -5.943138 -1.914604 1.389920
C 1.005991 1.845556 -0.428809
C -0.079266 0.758433 -0.382120
C -1.367889 1.603176 -0.638749
C 0.338926 3.032419 0.299847
C 0.852078 4.419606 -0.065818
C -2.925724 -0.322576 -0.031939
C -3.567165 1.682318 0.747234
C 3.334815 0.243851 -0.996116
C -4.160660 -0.406138 0.664076
C 4.412357 -0.650814 -0.437996
C -4.758501 -1.698259 0.746047
C -2.935568 -2.552214 -0.484051
C 4.072344 -1.875620 0.195280
C 5.780774 -0.289022 -0.535125
C 5.077395 -2.720993 0.712644
C 6.789028 -1.132949 -0.016771
C 6.439993 -2.352107 0.608358
H 1.219169 2.105331 -1.482097
H -0.133783 0.346507 0.649839
H -1.570906 1.662120 -1.726860
H 0.377452 2.872896 1.397228
H 0.280893 5.199993 0.465250
H 1.916137 4.507277 0.218483
H 0.757984 4.594492 -1.151699
H -0.660110 -0.922922 -1.250803
H -3.512018 2.749320 0.941929
H 3.720582 0.918975 -1.777420
H 2.465517 -0.318995 -1.371700
H -2.467404 -3.431167 -0.935653
H 3.016215 -2.158071 0.278417
H 6.054957 0.655996 -1.020060
H -6.326603 -2.857357 1.418456
H -6.427969 -1.137011 1.833738
H 4.801643 -3.665745 1.194769
H 7.842101 -0.841804 -0.101717
H 7.220456 -3.008732 1.009186


