%chk=000181817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181817

0 1
O -4.946658 0.390663 1.145801
O -4.621165 1.594824 -0.714023
O 1.390268 -0.377161 -2.156413
N -1.110982 -0.313670 -0.769283
C -3.438252 -0.554482 -0.402937
C -3.149627 -0.632113 -1.937006
C -1.622784 -0.446126 -2.147470
C -2.091262 -0.366400 0.215425
C 0.144191 -0.158741 -0.181441
C -1.467905 -0.245511 1.464603
C -0.080141 -0.116734 1.215872
C -4.354442 0.606923 -0.075590
C 1.383769 -0.112321 -0.966716
C 2.636529 0.259390 -0.238858
C 2.676677 1.385061 0.595062
C 3.788417 -0.515681 -0.433932
C 3.867010 1.725742 1.242984
C 4.973652 -0.176088 0.224170
C 5.012886 0.943424 1.061885
H -3.907850 -1.503659 -0.034866
H -3.710946 0.153052 -2.482067
H -3.486226 -1.601982 -2.339604
H -1.144366 -1.308177 -2.662386
H -1.380009 0.460642 -2.744311
H -1.949583 -0.251438 2.421847
H 0.685448 -0.015455 1.962229
H -5.543561 1.138378 1.422476
H 1.784236 1.997362 0.731592
H 3.754946 -1.376625 -1.103737
H 3.902071 2.601989 1.888362
H 5.867602 -0.780583 0.078887
H 5.938457 1.209093 1.571445


%chk=000181817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181817

0 1
O -4.935938 0.846235 0.944133
O -4.270790 1.704434 -1.110608
O 1.347700 -0.588737 -2.049187
N -1.163939 -0.388970 -0.677483
C -3.519440 -0.561384 -0.406714
C -3.129203 -0.886351 -1.888725
C -1.659547 -0.396585 -2.074154
C -2.165766 -0.466344 0.271295
C 0.080968 -0.230611 -0.053578
C -1.586451 -0.381649 1.552859
C -0.180565 -0.238203 1.349362
C -4.258333 0.772865 -0.278862
C 1.331540 -0.221037 -0.821246
C 2.609151 0.211803 -0.155207
C 2.652296 1.192003 0.872405
C 3.827107 -0.336617 -0.639780
C 3.890690 1.600046 1.415270
C 5.060840 0.061057 -0.087552
C 5.096207 1.030066 0.944794
H -4.152507 -1.340723 0.049492
H -3.808411 -0.400610 -2.606559
H -3.178746 -1.978693 -2.035925
H -1.040485 -1.057904 -2.696532
H -1.612793 0.624614 -2.492136
H -2.113752 -0.425007 2.503300
H 0.581885 -0.201670 2.125176
H -5.370874 1.737918 1.031003
H 1.725708 1.662829 1.215787
H 3.778697 -1.066313 -1.454864
H 3.915881 2.367748 2.196647
H 5.993619 -0.376122 -0.460534
H 6.055650 1.345508 1.370124


