%chk=000211125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211125

0 1
S 0.471534 -0.958870 -1.263028
O -2.173309 1.471008 0.657037
N -1.959940 -0.784139 1.191735
N 1.298038 0.556532 -1.210968
N -4.041291 0.158092 0.429188
C 0.206231 -1.588180 0.434744
C -0.796712 -2.737983 0.277845
C -0.483969 -0.571770 1.347379
C -2.186780 -2.132541 0.574318
C -2.684594 0.354750 0.699259
C 2.553100 0.536047 -0.522147
C -4.875261 1.284717 -0.057822
C 0.397978 1.711762 -1.007370
C 2.895367 1.488951 0.456202
C 3.496085 -0.445668 -0.901660
C -5.337173 1.048161 -1.493663
C 4.168358 1.464263 1.032396
C 4.757747 -0.456158 -0.312232
C 5.100925 0.495518 0.656683
H 1.178237 -1.921365 0.852858
H -0.561407 -3.546068 0.996692
H -0.767202 -3.213171 -0.720241
H -0.240402 -0.766541 2.416514
H -0.199322 0.489348 1.144692
H -2.793537 -2.075176 -0.351371
H -2.743358 -2.747472 1.312936
H -4.478874 -0.750893 0.485599
H -5.748453 1.396012 0.623748
H -4.283556 2.232056 0.010380
H -0.417544 1.673702 -1.753504
H 0.948729 2.652449 -1.175154
H -0.088035 1.751673 -0.007551
H 2.184138 2.249404 0.769362
H 3.242670 -1.181895 -1.665181
H -4.484526 0.940143 -2.177268
H -5.951349 0.146760 -1.591311
H -5.935211 1.893902 -1.854343
H 4.429978 2.208165 1.784283
H 5.485522 -1.209920 -0.611147
H 6.088468 0.480097 1.110112


%chk=000211125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211125

0 1
S 0.692839 -1.420349 -1.318703
O -2.185739 1.235661 1.379548
N -1.890067 -1.011958 0.810930
N 1.209099 0.243862 -0.966699
N -3.926344 0.076986 0.320007
C 0.165087 -2.111123 0.423144
C -0.975973 -3.123222 0.164490
C -0.491971 -1.033052 1.290987
C -2.248559 -2.237844 0.060583
C -2.642102 0.160316 0.865371
C 2.488940 0.521224 -0.424461
C -4.814663 1.248504 0.277306
C 0.250007 1.333752 -1.237451
C 2.839948 1.861845 -0.076597
C 3.453874 -0.507036 -0.209838
C -4.970860 1.839649 -1.140751
C 4.112671 2.149306 0.461010
C 4.720403 -0.201313 0.326030
C 5.065836 1.127532 0.668627
H 1.062463 -2.551368 0.884443
H -1.048550 -3.810107 1.028361
H -0.822481 -3.738034 -0.740110
H -0.434687 -1.320855 2.361764
H -0.031151 -0.037451 1.192777
H -2.473426 -1.997241 -0.998966
H -3.126417 -2.754124 0.498967
H -4.257948 -0.798291 -0.084586
H -5.805974 0.970122 0.686112
H -4.368498 1.997370 0.953278
H -0.626533 0.910239 -1.749891
H 0.707299 2.096013 -1.898133
H -0.104027 1.820869 -0.307157
H 2.123473 2.676099 -0.212296
H 3.207311 -1.537003 -0.487323
H -3.991522 2.169911 -1.529454
H -5.393037 1.099255 -1.846128
H -5.648001 2.713851 -1.120679
H 4.355162 3.186091 0.722666
H 5.444655 -1.011216 0.473550
H 6.050763 1.358831 1.087274


