%chk=000180661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180661

0 1
S 4.034099 0.245913 1.032304
O 3.354749 -0.967959 -1.232555
N 1.889535 -1.222586 0.537753
C -0.392539 -1.120748 -0.493636
C -1.253919 -0.910434 0.759662
C 0.856099 -1.970560 -0.223347
C -2.505223 -0.145128 0.418444
C -2.489392 1.258079 0.395968
C -3.691603 -0.829262 0.113469
C -3.650087 1.966761 0.075578
C -4.849816 -0.115301 -0.205964
C -4.832453 1.282777 -0.225188
C 3.017996 -0.746116 -0.092620
C 5.459683 0.662133 -0.037075
C 5.604159 2.164805 -0.075084
H -0.101723 -0.138823 -0.920738
H -0.998731 -1.611719 -1.282865
H -1.510309 -1.888615 1.214961
H -0.676942 -0.368635 1.535875
H 1.296656 -2.311536 -1.192955
H 0.598861 -2.888037 0.352064
H 1.636841 -0.928914 1.477841
H -1.572203 1.796336 0.626233
H -3.712511 -1.916784 0.124168
H -3.633118 3.055415 0.059938
H -5.768425 -0.650618 -0.440780
H -5.735051 1.836557 -0.473530
H 6.353716 0.165522 0.385349
H 5.296660 0.235130 -1.053207
H 4.719772 2.655202 -0.507189
H 5.760231 2.599396 0.921463
H 6.465188 2.459548 -0.692538


%chk=000180661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180661

0 1
S 4.191717 -0.252246 1.222917
O 3.096481 -0.668695 -1.302618
N 1.968202 -1.633005 0.502164
C -0.301532 -1.343270 -0.582132
C -1.061341 -0.930335 0.707673
C 0.909681 -2.265809 -0.313031
C -2.277480 -0.064794 0.409623
C -2.140620 1.333812 0.209911
C -3.567920 -0.640876 0.284393
C -3.260649 2.134392 -0.107590
C -4.691955 0.155462 -0.032991
C -4.541818 1.547366 -0.230948
C 2.974445 -0.890286 -0.070328
C 5.257520 0.810001 0.069663
C 4.791495 2.270191 0.014058
H 0.044195 -0.441567 -1.120926
H -0.996525 -1.874074 -1.262459
H -1.375294 -1.846852 1.246841
H -0.362805 -0.383140 1.370803
H 1.365518 -2.562729 -1.273632
H 0.584019 -3.184047 0.212085
H 1.943901 -1.727926 1.518730
H -1.150800 1.797459 0.308932
H -3.692970 -1.719968 0.441221
H -3.136356 3.213412 -0.254661
H -5.681779 -0.306953 -0.121657
H -5.411858 2.167481 -0.474448
H 6.284723 0.705550 0.455592
H 5.180289 0.323650 -0.917933
H 3.766447 2.335528 -0.389028
H 4.804924 2.741293 1.012463
H 5.458346 2.852777 -0.650891


