%chk=000194137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194137

0 1
S 3.913994 -0.580691 -1.601499
O -4.042073 0.425340 0.180292
O 4.177558 -2.045703 -1.643233
O -4.965187 -3.617948 0.510578
O -3.018328 -4.474593 -0.351814
N -1.906570 -0.188708 -0.397306
N -2.700084 2.082265 -0.685906
N -0.936280 -2.308293 -0.392923
N -3.348838 -2.155629 0.069340
C -0.517071 -0.018305 -0.690747
C 0.057247 -1.338943 -0.687507
C -3.682964 3.156618 -0.379023
C -3.253199 4.014702 0.816868
C -2.082758 -1.643276 -0.230310
C -2.954654 0.789630 -0.252576
C 0.272274 1.106724 -0.936366
C 1.420235 -1.525345 -0.940125
C 2.180599 -0.387439 -1.182129
C -2.105357 4.975902 0.482646
C 1.631820 0.901834 -1.184462
C -1.737144 5.845376 1.682040
C 4.607385 0.025603 -0.067628
C -3.664929 -3.535974 0.025349
C 4.992962 -0.876877 0.921333
C 4.815391 1.395978 0.080974
C 5.588805 -0.396981 2.093594
C 5.409970 1.872778 1.254584
C 5.793899 0.976549 2.259397
C -5.524789 -4.960907 0.526168
H -4.130851 4.592877 1.173565
H -2.971832 3.367167 1.671911
H -3.796482 3.774083 -1.299333
H -4.680456 2.691892 -0.177414
H -0.140448 2.113037 -0.937221
H 1.857677 -2.532764 -0.947172
H -1.755878 2.386193 -0.934456
H -2.390590 5.622090 -0.371588
H -1.214809 4.408066 0.151634
H 2.265190 1.768043 -1.379605
H -4.098333 -1.478270 0.350839
H -1.416100 5.241481 2.539176
H -0.915892 6.529889 1.439376
H -2.583256 6.458369 2.014830
H 4.837602 -1.951830 0.776625
H 4.529451 2.098034 -0.700394
H 5.891971 -1.094023 2.873456
H 5.577352 2.940004 1.385200
H 6.256657 1.350598 3.171958
H -6.514938 -4.788594 0.963713
H -4.906667 -5.613139 1.152206
H -5.588481 -5.344790 -0.497112


%chk=000194137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194137

0 1
S 3.954364 -0.196542 -1.770883
O -4.040773 0.360632 0.658071
O 4.118762 -1.839327 -2.037450
O -4.833403 -3.627581 0.640253
O -2.866254 -4.444179 -0.362468
N -1.893929 -0.131431 -0.161893
N -2.862521 2.010753 -0.495622
N -0.862874 -2.177702 -0.511072
N -3.202245 -2.147365 0.201080
C -0.543884 0.154972 -0.518409
C 0.057277 -1.131905 -0.743973
C -3.904252 3.046106 -0.323896
C -3.498373 4.166820 0.660270
C -1.995948 -1.575518 -0.157648
C -2.999527 0.756112 0.042631
C 0.202375 1.348352 -0.600088
C 1.413236 -1.231716 -1.114652
C 2.127400 -0.030282 -1.211589
C -2.284219 5.006102 0.201727
C 1.565485 1.241113 -0.968430
C -1.966773 6.165070 1.171569
C 4.762597 0.050911 -0.046143
C -3.536745 -3.503614 0.102509
C 5.169253 -1.120561 0.609267
C 4.987190 1.338377 0.472597
C 5.808751 -0.997229 1.864549
C 5.630618 1.448193 1.729276
C 6.036032 0.283364 2.423136
C -5.376390 -5.001496 0.613021
H -4.374258 4.835148 0.785728
H -3.295502 3.720504 1.653199
H -4.129848 3.477014 -1.318636
H -4.808794 2.529215 0.037618
H -0.205122 2.332584 -0.348812
H 1.908372 -2.188702 -1.317403
H -2.066498 2.209490 -1.102734
H -2.480205 5.413157 -0.811857
H -1.390141 4.353837 0.115040
H 2.172830 2.149244 -1.049918
H -3.907636 -1.490983 0.583749
H -1.740963 5.783110 2.184550
H -1.096116 6.753084 0.829169
H -2.827587 6.854072 1.257237
H 4.985637 -2.087898 0.123456
H 4.685399 2.238217 -0.076308
H 6.131908 -1.896197 2.400443
H 5.819014 2.438442 2.158373
H 6.536155 0.374456 3.393720
H -6.368975 -4.918470 1.077364
H -4.725918 -5.683550 1.186149
H -5.454180 -5.364105 -0.426063


