%chk=000252542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252542

0 1
S 0.887809 0.459832 -0.503166
O 0.616349 1.126688 -1.764532
O 0.116419 -0.721302 -0.140338
N 0.637219 1.632633 0.739976
N 6.630092 -0.809877 0.031781
C -3.945758 1.149376 0.629619
C -2.484207 1.303893 0.188357
C -4.641900 0.022238 -0.145547
C -1.772618 2.404391 0.983575
C -6.103594 -0.141344 0.290831
C -0.356094 2.703694 0.465333
C -6.797391 -1.270415 -0.484377
C -8.253541 -1.439956 -0.055992
C 2.554061 0.094239 -0.355087
C 2.955905 -1.164228 0.118695
C 3.523359 1.038879 -0.722771
C 4.300858 -1.485988 0.232283
C 4.876979 0.746766 -0.620091
C 5.277356 -0.524010 -0.134179
H -4.489895 2.101114 0.478836
H -3.991710 0.940777 1.715628
H -1.952472 0.334511 0.310700
H -2.438448 1.527274 -0.896190
H -4.591698 0.226764 -1.232562
H -4.092959 -0.928751 0.003101
H -1.738465 2.129717 2.055387
H -2.367528 3.338925 0.937915
H -6.651557 0.808281 0.140277
H -6.152372 -0.348106 1.376998
H -0.381435 2.918933 -0.631070
H 0.025176 3.631879 0.952878
H -6.748675 -1.064762 -1.571644
H -6.249584 -2.221265 -0.333106
H 0.528318 1.265691 1.694183
H -8.738696 -2.247662 -0.614968
H -8.334284 -1.683003 1.009437
H -8.833328 -0.526316 -0.228609
H 2.194455 -1.905803 0.397152
H 3.212344 2.019051 -1.102030
H 4.600708 -2.461350 0.603029
H 5.619046 1.486750 -0.903426
H 7.322903 -0.212323 -0.385653
H 6.924455 -1.756136 0.202867


%chk=000252542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252542

0 1
S 0.867201 0.308991 -0.326962
O 0.499128 1.080074 -1.718753
O 0.142638 -1.093018 0.110157
N 0.627024 1.595566 1.048965
N 6.837351 -0.709070 -0.256025
C -4.004454 1.156810 0.646914
C -2.513478 1.310515 0.269943
C -4.717760 0.040635 -0.148840
C -1.813653 2.431086 1.072149
C -6.209366 -0.117497 0.222786
C -0.336136 2.677715 0.691198
C -6.924421 -1.231247 -0.575899
C -8.414694 -1.381585 -0.200504
C 2.705377 0.008770 -0.294501
C 3.185206 -1.131748 0.373539
C 3.553784 0.912986 -0.958765
C 4.570309 -1.371766 0.384305
C 4.937179 0.668904 -0.946361
C 5.467685 -0.472801 -0.269106
H -4.529990 2.120800 0.477351
H -4.090304 0.943232 1.733707
H -1.997860 0.341508 0.429470
H -2.423988 1.528786 -0.813327
H -4.630426 0.253553 -1.234645
H -4.191616 -0.921609 0.019698
H -1.881745 2.213617 2.159987
H -2.361514 3.383749 0.915249
H -6.734842 0.846486 0.054892
H -6.297314 -0.333544 1.308594
H -0.241545 2.843981 -0.400560
H 0.045149 3.587601 1.195705
H -6.834258 -1.015786 -1.660228
H -6.399816 -2.193811 -0.407105
H 0.304047 1.023121 1.855384
H -8.902558 -2.183337 -0.785264
H -8.529731 -1.627593 0.872323
H -8.967257 -0.441397 -0.388767
H 2.483040 -1.824706 0.848258
H 3.137200 1.774436 -1.490040
H 4.963849 -2.258442 0.894467
H 5.614969 1.358610 -1.462374
H 7.480460 -0.080236 -0.728404
H 7.222730 -1.522639 0.214888


