%chk=000294229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294229

0 1
O 4.957704 -1.993913 -0.000263
O 6.519992 -0.205156 0.000731
O -1.105258 1.000122 -0.000076
O 0.098656 -1.015623 -0.000508
N 1.116079 1.113961 -0.000475
N -2.261207 0.199504 -0.000298
N -6.022960 -1.707697 0.000104
C 4.284133 -0.785949 -0.000085
C 5.220246 0.293104 0.000504
C 2.506805 0.773889 -0.000106
C 2.924199 -0.585135 -0.000405
C 4.814873 1.607852 0.000780
C 3.422015 1.838767 0.000477
C 6.389497 -1.663174 0.000147
C 0.068127 0.181224 -0.000488
C -4.653439 0.298238 0.000196
C -5.811337 1.095366 0.000149
C -3.330059 0.942226 0.000284
C -4.807661 -1.108769 0.000169
C -7.064574 0.481966 0.000073
C -7.131318 -0.921861 0.000055
H 2.212956 -1.416758 -0.000850
H 5.523295 2.432495 0.001229
H 3.074814 2.869886 0.000701
H 6.819493 -2.042502 -0.936066
H 6.819123 -2.043208 0.936240
H 0.878692 2.110452 -0.000407
H -5.735674 2.183088 0.000166
H -3.326357 2.046037 0.000897
H -3.932280 -1.778278 0.000200
H -7.975175 1.077118 0.000027
H -8.093701 -1.448372 -0.000002


%chk=000294229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294229

0 1
O 5.138600 -1.974236 0.000102
O 6.639441 -0.094323 0.000670
O -1.119843 0.884195 -0.000273
O 0.128507 -1.166805 -0.000492
N 1.124133 0.987177 -0.000315
N -2.328840 0.055402 -0.000330
N -6.226031 -1.667460 -0.000288
C 4.409489 -0.761250 0.000103
C 5.289795 0.340650 0.000434
C 2.521915 0.708954 -0.000065
C 3.021787 -0.628355 -0.000155
C 4.810405 1.651435 0.000525
C 3.402099 1.823981 0.000270
C 6.573865 -1.581337 0.000325
C 0.087865 0.073873 -0.000574
C -4.733199 0.282171 0.000070
C -5.857457 1.150470 0.000444
C -3.377651 0.850102 0.000062
C -4.979045 -1.124353 -0.000283
C -7.155459 0.598542 0.000447
C -7.293099 -0.808130 0.000072
H 2.350042 -1.487422 -0.000410
H 5.488346 2.507964 0.000786
H 2.992211 2.840449 0.000337
H 7.049180 -1.961874 -0.920068
H 7.049006 -1.962289 0.920632
H 0.844625 1.970525 -0.000260
H -5.713886 2.237632 0.000725
H -3.274355 1.947746 0.000391
H -4.137700 -1.825452 -0.000567
H -8.042300 1.239397 0.000732
H -8.282748 -1.278480 0.000053


