%chk=000181868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181868

0 1
O 0.197243 2.214759 0.000993
O -5.381523 -0.731420 -0.000321
O -4.094056 -2.555238 -0.001995
N 3.545247 0.384370 0.000688
C 3.043763 -0.431466 -1.164845
C 3.043412 -0.432433 1.165394
C 0.771602 -0.528826 -0.000109
C 1.536801 -0.107960 -1.277271
C 1.536414 -0.109028 1.277638
C 3.290581 -1.920327 -0.772372
C 3.290351 -1.920968 0.771757
C -0.636731 0.026321 -0.000075
C 5.024936 0.554451 0.000981
C -0.918794 1.423342 0.000461
C -1.720585 -0.844293 -0.000574
C -3.048266 -0.363502 -0.000560
C -2.233681 1.915672 0.000442
C -3.297434 1.015573 -0.000063
C -4.139308 -1.343980 -0.001112
C 0.028597 3.655410 0.001628
H 3.565313 -0.160791 -2.105346
H 3.564681 -0.162538 2.106275
H 0.704058 -1.648431 -0.000594
H 1.101679 -0.599927 -2.162011
H 1.425303 0.987485 -1.429082
H 1.424859 0.986291 1.430322
H 1.101029 -0.601739 2.161832
H 4.251590 -2.275653 -1.173158
H 2.516975 -2.583998 -1.184764
H 2.516627 -2.584986 1.183365
H 4.251245 -2.276620 1.172533
H 5.312656 1.141148 0.887813
H 5.312909 1.141945 -0.885241
H 5.604280 -0.379900 0.000644
H -1.558581 -1.928370 -0.001006
H -2.433161 2.982610 0.000810
H -4.329871 1.378479 -0.000069
H -0.488152 3.978714 0.908977
H -0.487731 3.979552 -0.905660
H 1.075699 3.991982 0.002027
H -6.121478 -1.394111 -0.000652


%chk=000181868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181868

0 1
O 0.120224 2.391009 0.001099
O -5.420363 -0.867771 -0.000463
O -3.944040 -2.660077 -0.001250
N 3.677153 0.303689 0.000698
C 3.087248 -0.445470 -1.158890
C 3.086881 -0.446475 1.159451
C 0.803518 -0.413040 -0.000067
C 1.602262 -0.021685 -1.282079
C 1.601852 -0.022796 1.282537
C 3.246111 -1.966281 -0.783525
C 3.245848 -1.966966 0.782808
C -0.631550 0.108517 -0.000086
C 5.158388 0.330880 0.000946
C -0.961992 1.504490 0.000470
C -1.706088 -0.800890 -0.000693
C -3.063773 -0.380956 -0.000808
C -2.312267 1.940784 0.000388
C -3.360003 1.002761 -0.000235
C -4.120193 -1.414885 -0.001542
C -0.150917 3.832418 0.001722
H 3.625903 -0.181908 -2.086994
H 3.625244 -0.183724 2.087953
H 0.718245 -1.518944 -0.000565
H 1.139369 -0.501337 -2.166686
H 1.568934 1.071811 -1.421403
H 1.568471 1.070579 1.422804
H 1.138682 -0.503219 2.166581
H 4.194517 -2.368935 -1.181638
H 2.427927 -2.577157 -1.205497
H 2.427517 -2.578197 1.203978
H 4.194118 -2.369973 1.180888
H 5.508912 0.879161 0.893923
H 5.509199 0.879973 -0.891419
H 5.650884 -0.672141 0.000569
H -1.502728 -1.877900 -0.001145
H -2.550757 3.007996 0.000808
H -4.402642 1.331968 -0.000311
H -0.711195 4.134971 0.907007
H -0.710819 4.135823 -0.903511
H 0.841822 4.305115 0.002150
H -6.071404 -1.619618 -0.000270


