%chk=000182850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182850

0 1
S -3.068813 -3.327185 -0.448344
S -1.526368 -3.543288 0.914287
O 5.401868 0.504259 -0.721232
N -2.180166 -0.760811 -0.097484
N 0.898653 -2.587094 0.425203
N -0.843221 -1.052766 -0.086151
N -4.112761 0.381046 -0.124623
N -4.429055 -0.908405 -0.253181
C -2.746435 0.534082 -0.017672
C -2.033981 1.796428 0.161085
C -3.283981 -1.642686 -0.247044
C 2.005046 -1.714395 0.119255
C -0.430627 -2.239770 0.334460
C -2.648829 2.816711 0.910325
C -0.772328 2.011576 -0.417169
C 3.136527 -2.290457 -0.502646
C 1.993787 -0.356708 0.468606
C 4.230198 -0.141997 -0.403441
C -1.995151 4.037698 1.085670
C -0.127989 3.237865 -0.235591
C 4.252342 -1.509645 -0.760740
C 3.112008 0.439137 0.205346
C -0.735157 4.249397 0.515378
C 5.504965 1.914305 -0.405298
H 1.130106 -3.573619 0.568238
H -3.638286 2.651857 1.343470
H -0.297162 1.226908 -1.010874
H 3.138224 -3.343316 -0.784590
H 1.116286 0.090865 0.944243
H 5.141197 -1.922460 -1.235971
H 3.094543 1.490544 0.477697
H -2.471239 4.827689 1.665081
H 0.847367 3.406155 -0.688219
H -0.230188 5.204196 0.652807
H 4.755527 2.484495 -0.961378
H 6.518225 2.147330 -0.760033
H 5.423069 2.069962 0.674129


%chk=000182850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182850

0 1
S -3.282382 -3.335374 -0.551880
S -1.420101 -3.650451 0.865547
O 5.629121 0.455531 -0.389824
N -2.303163 -0.761134 -0.088821
N 0.864652 -2.561521 -0.003332
N -0.945636 -1.060968 -0.281435
N -4.166653 0.416640 0.370829
N -4.545858 -0.934752 0.204520
C -2.814452 0.515532 0.199021
C -2.075117 1.778613 0.294194
C -3.416379 -1.624967 -0.086897
C 2.006910 -1.717762 -0.123598
C -0.480505 -2.244181 0.088823
C -2.618710 2.813151 1.105876
C -0.890913 2.027078 -0.452231
C 3.264777 -2.361303 -0.304625
C 1.957836 -0.306511 -0.034632
C 4.393856 -0.195329 -0.292316
C -1.977312 4.065435 1.182921
C -0.259218 3.286237 -0.375493
C 4.444814 -1.610515 -0.389285
C 3.145579 0.450702 -0.112809
C -0.792855 4.306638 0.446286
C 5.637887 1.917855 -0.279165
H 1.063379 -3.565332 0.019464
H -3.544286 2.618450 1.656349
H -0.493498 1.248476 -1.109693
H 3.318537 -3.455164 -0.374581
H 1.000354 0.196537 0.097611
H 5.415718 -2.094266 -0.528411
H 3.078452 1.539632 -0.032743
H -2.401434 4.854226 1.813527
H 0.641723 3.475735 -0.970157
H -0.298011 5.282446 0.504655
H 5.051021 2.384798 -1.093659
H 6.695041 2.205275 -0.372065
H 5.245025 2.248446 0.701628


