%chk=000197323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197323

0 1
O 5.791363 0.775941 -0.000941
O 4.350951 2.375862 0.002193
N 4.640530 1.190013 0.000569
N -4.202824 -3.044458 -0.000240
C -0.179350 -0.287430 0.000200
C 1.240114 -0.569066 0.000265
C -0.638301 1.040346 0.000224
C -1.125555 -1.377435 0.000095
C 2.182958 0.499600 0.000379
C -2.050867 1.321136 0.000123
C 1.692607 -1.923409 0.000210
C -2.979101 0.247823 0.000012
C -2.487297 -1.103238 0.000005
C 0.338089 2.103547 0.000335
C -0.612728 -2.744051 0.000088
C 1.672714 1.849984 0.000392
C 0.711903 -3.000604 0.000142
C 3.567058 0.173116 0.000416
C 3.062233 -2.203249 0.000209
C -2.552454 2.661582 0.000131
C 3.990743 -1.162170 0.000281
C -4.381751 0.535634 -0.000093
C -3.901815 2.912021 0.000035
C -4.830166 1.832738 -0.000080
C -3.436842 -2.177510 -0.000095
H -0.026994 3.135806 0.000384
H -1.340426 -3.561060 0.000041
H 2.391050 2.683080 0.000491
H 1.091444 -4.024834 0.000139
H 3.413519 -3.236272 0.000155
H -1.837963 3.488009 0.000213
H 5.066753 -1.388590 0.000221
H -5.095086 -0.290752 -0.000188
H -4.281388 3.933981 0.000045
H -5.897822 2.054808 -0.000157


%chk=000197323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197323

0 1
O 5.931362 0.705141 -0.000679
O 4.449532 2.421262 0.002126
N 4.715893 1.153532 0.000495
N -4.229542 -3.095110 -0.000212
C -0.168665 -0.278471 0.000183
C 1.248538 -0.560867 0.000272
C -0.642814 1.074346 0.000196
C -1.118438 -1.376839 0.000078
C 2.215994 0.521528 0.000419
C -2.070667 1.352650 0.000106
C 1.694399 -1.933789 0.000215
C -3.010657 0.253839 0.000001
C -2.511308 -1.099280 -0.000007
C 0.338534 2.120614 0.000280
C -0.629720 -2.737720 0.000062
C 1.702766 1.869302 0.000409
C 0.723087 -3.003103 0.000126
C 3.611375 0.161263 0.000412
C 3.083003 -2.221567 0.000235
C -2.596245 2.684598 0.000116
C 4.028664 -1.188812 0.000293
C -4.418940 0.522534 -0.000089
C -3.973020 2.923760 0.000027
C -4.894669 1.833448 -0.000077
C -3.447350 -2.189086 -0.000103
H 0.015831 3.164656 0.000284
H -1.356035 -3.556922 -0.000012
H 2.409364 2.697370 0.000564
H 1.086102 -4.036488 0.000102
H 3.415059 -3.264864 0.000203
H -1.917178 3.540842 0.000197
H 5.100437 -1.398314 0.000253
H -5.119626 -0.319026 -0.000168
H -4.347854 3.952534 0.000038
H -5.971913 2.027937 -0.000147


