%chk=000206796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206796

0 1
S 4.556955 -1.277334 -0.178579
N 2.208130 0.061695 -0.209777
N 0.866553 -2.315487 0.279225
N 2.151545 -2.328211 0.195688
C 0.845967 0.072814 -0.103499
C 0.147840 -1.148322 0.128975
C 0.182343 1.388728 -0.229194
C -1.320629 -1.261756 0.213084
C -0.749062 1.799589 0.738499
C 0.499665 2.233407 -1.304739
C -2.127909 -0.711053 -0.796230
C -1.909720 -1.938171 1.293498
C -1.365049 3.047378 0.620791
C -0.126379 3.477609 -1.417400
C -3.517005 -0.827829 -0.713570
C -3.300764 -2.047347 1.368479
C -1.057522 3.885168 -0.456935
C -4.105074 -1.492125 0.368433
C 2.825712 -1.141531 -0.061860
C 5.105738 0.407384 -0.486636
H -0.992263 1.146036 1.577041
H 1.237750 1.919744 -2.043751
H -1.672229 -0.195766 -1.640957
H -1.280784 -2.387355 2.062980
H -2.087291 3.367362 1.370888
H 0.115998 4.131997 -2.253625
H -4.143340 -0.402033 -1.496150
H -3.757419 -2.572292 2.206488
H -1.542327 4.856487 -0.546268
H -5.188448 -1.580758 0.428866
H 4.732101 0.795831 -1.443522
H 6.203484 0.404437 -0.510170
H 4.772934 1.102607 0.297524


%chk=000206796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206796

0 1
S 4.527265 -1.312730 -0.142668
N 2.145673 0.088662 -0.167242
N 0.843238 -2.029685 1.052835
N 2.200578 -2.031963 1.010593
C 0.793791 0.180295 0.041995
C 0.103160 -1.007006 0.481310
C 0.192048 1.527581 -0.117674
C -1.353071 -1.268498 0.378293
C -0.925242 1.944510 0.657913
C 0.786625 2.451215 -1.021051
C -2.116784 -0.761996 -0.709436
C -1.990336 -2.100063 1.339794
C -1.439176 3.250042 0.521006
C 0.262140 3.751745 -1.164835
C -3.489134 -1.066605 -0.820739
C -3.364031 -2.398302 1.227445
C -0.854194 4.156439 -0.395093
C -4.120528 -1.880788 0.149454
C 2.780036 -1.035478 0.233910
C 4.911364 0.265171 -1.091188
H -1.380858 1.256200 1.376208
H 1.659260 2.130978 -1.598751
H -1.635158 -0.142178 -1.472841
H -1.391150 -2.508518 2.159144
H -2.293539 3.561889 1.131395
H 0.722675 4.449888 -1.872391
H -4.064223 -0.675078 -1.667031
H -3.844350 -3.035192 1.978386
H -1.261162 5.167857 -0.504043
H -5.187621 -2.113795 0.062395
H 4.348808 0.285773 -2.035347
H 5.994357 0.232026 -1.286324
H 4.649041 1.138509 -0.477824


