%chk=000186467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186467

0 1
O 0.918872 -0.450976 -0.590028
O 1.375886 -0.238338 1.645204
O -1.322914 -2.972532 0.389966
N -0.319820 -1.053617 -0.326043
C 2.834528 0.862494 -0.056877
C 2.246937 2.251847 -0.336528
C 3.928997 0.928314 1.012062
C 3.363232 0.214985 -1.339683
C 1.672911 0.020826 0.512556
C -1.398911 -0.105164 -0.230410
C -0.277278 -2.406150 0.157001
C -2.660252 -0.509321 0.243591
C -1.193114 1.217269 -0.670330
C -3.704990 0.415672 0.270160
C -2.251277 2.125353 -0.630992
C 1.075742 -3.033733 0.246272
C -3.508324 1.731255 -0.162022
H 1.358093 2.192631 -0.987376
H 1.945123 2.763410 0.586460
H 2.978152 2.896238 -0.838535
H 3.535694 1.281777 1.976004
H 4.385752 -0.051291 1.195644
H 4.731103 1.613356 0.713593
H 2.577027 0.127931 -2.104258
H 3.755444 -0.792327 -1.161259
H 4.176320 0.807920 -1.775450
H -2.830375 -1.536705 0.582477
H -0.215241 1.527402 -1.047267
H -4.684011 0.103679 0.635004
H -2.095082 3.148270 -0.971456
H 1.595924 -2.708170 1.164056
H 1.720386 -2.788568 -0.610065
H 0.984103 -4.130809 0.297130
H -4.329436 2.443472 -0.134499


%chk=000186467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186467

0 1
O 0.860132 -0.282572 -0.637581
O 1.357016 -0.184409 1.668080
O -1.358486 -3.026918 0.114980
N -0.384843 -0.950800 -0.269570
C 2.927080 0.845786 0.010783
C 2.497202 2.094879 -0.813137
C 3.755039 1.277636 1.246142
C 3.760069 -0.116728 -0.888064
C 1.677465 0.102156 0.508483
C -1.509851 -0.069057 -0.125309
C -0.322681 -2.354003 -0.154036
C -2.723796 -0.518569 0.463804
C -1.402935 1.269698 -0.587453
C -3.804867 0.379692 0.586853
C -2.494603 2.151391 -0.449651
C 1.041251 -2.988827 -0.377629
C -3.703593 1.715646 0.137623
H 1.935452 1.806918 -1.717794
H 1.873335 2.778629 -0.209382
H 3.402188 2.646129 -1.126395
H 3.179262 1.958941 1.895986
H 4.053920 0.406829 1.854625
H 4.667906 1.800772 0.909165
H 3.187761 -0.431951 -1.776660
H 4.072072 -1.018654 -0.330546
H 4.672628 0.406837 -1.225698
H -2.811311 -1.551008 0.801396
H -0.479818 1.612006 -1.060026
H -4.735103 0.023538 1.043392
H -2.397793 3.181346 -0.810907
H 1.728089 -2.743796 0.452814
H 1.505505 -2.649215 -1.318381
H 0.895544 -4.078623 -0.402826
H -4.550034 2.402702 0.241022


