%chk=000190127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190127

0 1
O 4.649538 -2.020850 -0.000608
O 4.810177 0.124827 0.000907
N 4.151778 -0.902140 0.000157
C 0.532123 0.342054 0.000016
C -0.145863 -0.920238 0.000033
C -0.251721 1.559405 -0.000050
C -1.590768 -0.977518 -0.000070
C -1.681717 1.519364 -0.000102
C -2.369166 0.219551 -0.000188
C 1.946692 0.402336 0.000085
C 0.600031 -2.118186 0.000129
C 0.408017 2.813152 -0.000028
C -2.238427 -2.239974 -0.000085
C 2.672785 -0.833984 0.000129
C 2.013244 -2.054506 0.000169
C 2.581078 1.698552 0.000072
C -0.085405 -3.391420 0.000178
C 1.850955 2.844167 0.000006
C -2.393635 2.717616 -0.000061
C -3.760444 0.121428 -0.000387
C -1.441597 -3.448602 0.000075
C -0.347498 4.011371 -0.000016
C -3.651908 -2.301104 -0.000254
C -1.729456 3.959083 -0.000016
C -4.396337 -1.133386 -0.000418
H 2.592641 -2.989543 0.000228
H 3.678582 1.747210 0.000127
H 0.520918 -4.298344 0.000301
H 2.342868 3.818834 -0.000024
H -3.485582 2.707221 -0.000066
H -4.374921 1.023218 -0.000526
H -1.966843 -4.404190 0.000107
H 0.171112 4.969859 -0.000006
H -4.146619 -3.271479 -0.000258
H -2.317132 4.877130 0.000018
H -5.486197 -1.176912 -0.000572


%chk=000190127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190127

0 1
O 4.695117 -2.138056 -0.000204
O 4.907563 0.116427 0.001216
N 4.176237 -0.951103 0.000191
C 0.530806 0.355339 0.000020
C -0.156388 -0.914103 -0.000006
C -0.255056 1.571111 -0.000050
C -1.597686 -0.976343 -0.000082
C -1.697797 1.530098 -0.000121
C -2.387461 0.228251 -0.000142
C 1.978381 0.419716 0.000121
C 0.604328 -2.132914 0.000032
C 0.414172 2.848636 -0.000045
C -2.250784 -2.266665 -0.000108
C 2.689879 -0.840676 0.000148
C 2.019426 -2.068373 0.000088
C 2.608610 1.720958 0.000106
C -0.072910 -3.408520 0.000014
C 1.851290 2.878508 0.000014
C -2.410086 2.756006 -0.000169
C -3.800277 0.109147 -0.000227
C -1.451581 -3.471534 -0.000052
C -0.343558 4.052812 -0.000102
C -3.670034 -2.333363 -0.000191
C -1.745521 4.002638 -0.000160
C -4.433116 -1.153452 -0.000250
H 2.613198 -2.986107 0.000091
H 3.695245 1.774736 0.000203
H 0.532056 -4.321559 0.000054
H 2.352739 3.853216 0.000001
H -3.503035 2.753253 -0.000219
H -4.428806 1.003271 -0.000277
H -1.967259 -4.438216 -0.000065
H 0.181701 5.014341 -0.000098
H -4.160934 -3.312913 -0.000210
H -2.330409 4.928136 -0.000202
H -5.526748 -1.208701 -0.000315


