%chk=000105925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105925

1 1
S 4.745039 1.237044 -1.844832
O 5.139753 -0.198410 -2.596921
O 4.121571 2.064947 -2.821145
O 5.857562 1.626864 -1.039058
N -1.057664 -0.083894 -0.061597
N -0.079675 -0.253714 -0.835228
N 3.353327 -0.824711 2.648102
N 3.652285 -1.172515 3.662353
C -3.436316 0.095642 0.363579
C -4.779885 -0.111696 -0.055082
C -2.377947 -0.283254 -0.546532
C 3.530722 0.565959 -0.752776
C -3.194725 0.670906 1.649423
C -5.048679 -0.672505 -1.339795
C -5.851737 0.252419 0.823330
C 1.233062 -0.076452 -0.269523
C -2.678427 -0.821657 -1.798631
C 2.205451 0.463765 -1.161498
C -4.020019 -1.017267 -2.189938
C 3.943646 0.145065 0.508134
C 1.605186 -0.501440 1.005099
C -4.243005 1.012396 2.468801
C 2.972939 -0.392489 1.384892
C -5.589468 0.799537 2.053208
H -2.166993 0.841218 1.967879
H -6.089709 -0.823188 -1.641002
H -6.878732 0.087216 0.492198
H 1.884549 0.800116 -2.166443
H -1.877321 -1.101771 -2.489928
H 5.000712 0.238642 0.811653
H -4.229779 -1.442838 -3.173899
H 0.852169 -0.906566 1.692956
H -4.063534 1.454815 3.450196
H -6.400136 1.081107 2.727335
H 5.612677 -0.158790 -3.450111


%chk=000105925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105925

1 1
S 4.979141 0.754307 -2.090934
O 5.163770 -1.041595 -2.453121
O 4.376772 1.526267 -3.370630
O 6.254842 1.296579 -1.264270
N -1.078211 0.093451 -0.043362
N -0.097758 0.073804 -0.920960
N 3.163732 -0.015378 2.752445
N 3.319567 -0.125291 3.900044
C -3.458372 0.030923 0.443054
C -4.818511 -0.143722 -0.030209
C -2.379406 -0.053870 -0.532752
C 3.585085 0.441283 -0.845118
C -3.242549 0.282386 1.828776
C -5.054418 -0.382676 -1.418412
C -5.907519 -0.068585 0.901486
C 1.203943 0.170806 -0.376092
C -2.664248 -0.287900 -1.909066
C 2.266512 0.365096 -1.311585
C -3.993055 -0.451823 -2.344695
C 3.956262 0.329107 0.496685
C 1.511663 0.047041 1.007378
C -4.325798 0.351701 2.716634
C 2.873800 0.127795 1.403439
C -5.666044 0.174345 2.254754
H -2.220513 0.428261 2.187648
H -6.086617 -0.512504 -1.764272
H -6.930570 -0.202749 0.533504
H 2.030835 0.464420 -2.377283
H -1.830139 -0.342360 -2.614956
H 5.001692 0.402651 0.815517
H -4.201997 -0.634611 -3.402755
H 0.699592 -0.110074 1.724635
H -4.146618 0.546828 3.779163
H -6.497341 0.232532 2.963699
H 5.859375 -1.171943 -3.163189


