%chk=000291712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291712

0 1
S 0.181827 2.411342 0.087905
O 4.299145 -2.335557 -0.694443
O 2.148160 -2.522921 -0.576347
N 3.177751 -1.868997 -0.571411
N -0.981377 1.131870 0.023141
C 1.706752 1.555980 -0.103556
C 3.062360 -0.401239 -0.404092
C 1.790357 0.173029 -0.259582
C -3.246895 0.345240 0.083095
C 2.855783 2.357479 -0.090283
C 4.227598 0.380019 -0.394062
C 4.113826 1.763163 -0.236067
C -4.604197 0.694364 0.208305
C -2.888192 -1.001655 -0.086722
C -5.586282 -0.296250 0.163416
C -3.877574 -1.988047 -0.130682
C -2.233273 1.426743 0.135866
C -5.224928 -1.638124 -0.006024
H 0.893630 -0.464821 -0.271291
H 2.782557 3.440884 0.032441
H 5.206412 -0.097549 -0.509144
H 5.011607 2.382778 -0.226415
H -4.894601 1.735575 0.340423
H -1.834961 -1.277104 -0.184379
H -6.636372 -0.024468 0.260468
H -3.594080 -3.032001 -0.262655
H -2.655978 2.438711 0.273480
H -5.994155 -2.408543 -0.040585


%chk=000291712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291712

0 1
S 0.175647 2.585037 0.112844
O 4.202756 -2.408453 -0.741261
O 1.928128 -2.479115 -0.610965
N 3.050675 -1.841785 -0.600510
N -0.958486 1.160364 0.036503
C 1.744821 1.656538 -0.090801
C 3.018934 -0.365577 -0.415476
C 1.766207 0.259523 -0.265074
C -3.236490 0.332446 0.084703
C 2.948310 2.402989 -0.069002
C 4.239764 0.342717 -0.400096
C 4.186927 1.741399 -0.223983
C -4.616098 0.665204 0.177031
C -2.857431 -1.033391 -0.050905
C -5.599774 -0.345121 0.133945
C -3.842158 -2.037462 -0.092765
C -2.244076 1.421232 0.133068
C -5.215604 -1.698628 -0.000930
H 0.839193 -0.317122 -0.281721
H 2.924753 3.489944 0.067674
H 5.182442 -0.195300 -0.522273
H 5.113131 2.324176 -0.206189
H -4.914044 1.715830 0.281964
H -1.794773 -1.285962 -0.121190
H -6.659782 -0.079472 0.205362
H -3.544997 -3.086389 -0.197062
H -2.655521 2.441130 0.252113
H -5.977553 -2.484852 -0.034205


